SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs: 

Log Kow (octanol-water): 0.83 

Boiling Point (deg C) 168.40 

Melting Point (deg.C) -74.80 

Vapor Pressure (mm Hg) 0.88 

Water Solubility (mg/L) : 1E+006 

Henry LC (atm-m3/mole) 1.6E-006 

KOWWIN Program (v1.67) Results: 

Log.Kow(version 1.67 estimate): 0.57 

Experimental Database Structure Match: 

Name 2-BUTOXYETHANOL 

CAS Num 000111-76-2 

Exp Log P: 0.83 

Exp Ref HANSCH,C ET AL. (1995) 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

-------+-----+-----------------------------------------~--+---------+--------

TYPE I NUM I LOGKOW FRAGMENT DESCRIPTION I COEFF I VALUE 

-------+-----+--------------------------------------------+---------+----~---

Frag I 1 I -CH3 [aliphatic carbon] I 0.5473 I 0.5473 

Frag I 5 I -CH2- [aliphatic carbon] I 0.4911 I 2.4555 

Frag I 1 I -OH [hydroxy, aliphatic attach] l-1.4086 I -1.4086 

Frag I 1 I -0- [oxygen, aliphatic attach] l-1.2566 I -1.2566 

Canst I I Equation Constant I I 0.2290 

-------+-----+--------------------------------------------+---------+--------

Log Kow 0.5666 

MPBPVP (v1.43) Program Results: 

Experimental Database Structure Match: 

Name 2-BUTOXYETHANOL 

CAS Num 000111-76-2 

Exp MP (deg C): -74.8 

Exp BP (deg C): 168.4 

Exp VP (mm Hg): 8.80E-01 

(Pa ): 1.17E+002 

Exp VP (deg C) : 25 

Exp VP ref DOW CHEMICAL COMPANY (1990) 

SMILES O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT :· 118 .18 

------------------------ SUMMARY MPBVP v1.43 --------------------

Boiling Point: 181.14 deg C (Adapted Stein and Brown Method) 

Melting Point: 

Melting Point: 

Mean Melt Pt 

Selected MP: 

-32.73 deg 

-7.90 deg 

-20.31 deg 

-20.31 deg C 

C (Adapted Joback Method) 

C (Gold and Ogle Method) 

C (Joback; Gold,Ogle Methods) 

(Mean Value) 

Vapor Pressure Estimations (25 deg C) : 

(Using BP: 168.40 deg C (user entered)) 

(MP not used for liquids) 

VP: 0.527 mm Hg (Antoine Method) 

70.3 Pa (Antoine Method) 

VP: 0.423 mm Hg (Modified Grain Method) 

56.4 Pa (Modified Grain Method) 

VP: 2.33 mm Hg (Mackay Method) 

310 Pa (Mackay Method) 

1 
Selected VP: 0.475 mm Hg (Mean of Antoine & Grain methods) 

63.3 Pa (Mean of Antoine & Grain methods) 

-------+-----+--------------------+----------+---------

TYPE I NUM I BOIL DESCRIPTION I COEFF I VALUE 

-------+-----+--------------------+----------+---------

Group I 1 I -CH3 I 21.98 I 21.98 

Group I 5 I -CH2- I 24.22 I 121.10 

Group I 1 I -0- (nonring) I 25.16 I 25.16 

Group I 1 I -OH (primary) I 88.46 I 88.46 

* I I Equation Constant I 198.18 

=============+====================+==========+========= 

RESULT-uncorrl BOILING POINT in deg Kelvin I 454.88 

RESULT- corr I BOILING POINT in deg Kelvin I 454.30 

I BOILING POINT in deg C I 181.14 

-------+-----+--------------------+----------+---------

TYPE I NUM I MELT DESCRIPTION I COEFF I VALUE 

-------+-----+--------------------+----------+---------

Group I 1 I -CH3 I -5.10 I -5.10 

Group I 5 I -CH2- I 11.27 I 56.35 

Group I '1 I -0- (nonring) I 22.23 I 22.23 

Group I 1 I -OH (primary) I 44.45 I 44.45 

* I I Equation Constant I 122.50 

=============+====================+==========+========= 

RESULT I MELTING POINT in deg Kelvin 240.43 

I MELTING POINT in deg C I -32.73 

Water Sol from Kow (WSKOW v1.41) Results: 

Water Sol: 1.051e+005 mg/L 

Experimental Water Solubility Database Match: 

Name 2-BUTOXYETHANOL 

CAS Num 000111-76-2 

Exp WSol 1E+006 mg/L (20 deg C) 

Exp Ref RIDDICK,JA ET AL. (1986) 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

---------------------------------- WSKOW v1.41 Results ------------------------ Log Kow (estimated) 0.57 

Log Kow (experimental): 0.83 

Cas No: 000111-76-2 

Name 2-BUTOXYETHANOL 

Refer : HANSCH,C ET AL. (1995) 

Log Kow used by Water solubility estimates: 0.83 (user entered) 

Equation Us.ed to Make Water Sol estimate: 

LogS (mol/L) 0.693-0.96 log Kow-0.0092(Tm-25)-0.00314 MW +Correction 

Melting Pt (Tm) -74.80 deg C (Use Tm = 25 for all liquids) 

Correction (s) : Value 

Alcohol, al~phatic 0.424 

Log Water Solubility (in moles/L) -0.051 

Water Solubility at 25 deg C (mg/L): ~.051e+005 

WATERNT Program (v1.01) Results: 

Water Sol (v1.01 est): 1.5532e+005 mg/L 

2 
Experimental Water Solubility Database Match: 

Name 2-BUTOXYETHANOL 

CAS Num 000111-76-2 

Exp WSol 1E+006 mg/L (20 deg C) 

Exp Ref RIDDICK,JA ET AL. (1986) 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

-------+-- --+--------------------------------------------+----------+---------

TYPE I NUM I WATER SOLUBILITY FRAGMENT DESCRIPTION I COEFF I VALUE 

-------+-----+--------------------------------------------+----------+---------

Frag I 1 I -CH3 [aliphatic carbon] l-0.3213 I -0.3213 

Frag I 5 I -CH2- [aliphatic carbon] l-0.5370 I -2.6851 

Frag I 1 I -OH [hydroxy, aliphatic attach] I 1.6012 I 1.6012 

Frag I 1 I -0- [oxygen, aliphatic attach] I 1.2746 I 1.2746 

Const I I Equation Constant I I 0.2492 

-------+-----+--------------------------------------------+----------+---------

Log·water Sol (moles/L) at 25 dec C 0.1187 

Water Solubility (mg/L) at 25 dec C =1.5532e+005 

HENRYWIN (v3.20) Program Results: 

Bond Est : 9.79E-008 atm-m3/mole 

Group Est: 2.08E-008 atm-m3/mole 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

(9.92E-003 Pa-m3/mole) 

(2.11E-003 Pa-m3/mole) 

HENRYWIN v3.20 Results --------------------------

Experimental Database Structure Match: 

Name 2-BUTOXYETHANOL 

CAS Num 000111-76-2 

Exp HLC 1.60E-06 atm-m3/mole (0.162 Pa-m3/mole) 

Temper 25 deg C 

Exp Ref JOHANSON,G & DYNESIUS,B (1988) 

----------+---------------------------------------------+---------+----------

CLASS I BOND CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

----------+---------------------------------------------+---------+----------

HYDROGEN I 13 Hydrogen to Carbon (aliphatic) Bonds I I -1.5558 

HYDROGEN I 1 Hydrogen to Oxygen Bonds I I 3.2318 

FRAGMENT I 4 C-C I I 0.4652 

FRAGMENT I 3 C-0 I I 3.2564 

----------+--------------~------------------------------+-------~-+----------

RESULT I BOND ESTIMATION METHOD for LWAPC VALUE I TOTAL I 5.398 

----------+---------------------------------------------+---------+----------

HENRYs LAW CONSTANT at 25 deg C = 9.79E-008 atm-m3/mole 

4.00E-OOG unitless 

= 9.92E-003 Pa-m3/mole 

--------+-- --------------------------------------------+------------+-------

1 GROUP CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

--------+-----------------------------------------------+------------+--------

1 1 CH3 (X) I I -0.62 

I 2 CH2 (C) (C) I I -0.30 

I 3 CH2 (C) (0) I I -0.39 

I 1 0-H (C) I I 4.45 

r 1 o (c) (c) 1 1 2. 93 

--------+-----------------------------------------------+------------+--------

RESULT I GROUP ESTIMATION METHOD for LOG GAMMA VALUE I TOTAL I 6.07 

--------+-----------------------------------------------+------------+--------

HENRYs LAW CONSTANT at 25 deg C = 2.08E-008 atm-m3/mole 

8.51E-007 unitless 

= 2.11E-003 Pa~m3/mole 

For Henry LC Comparison Purposes: 

Exper Database: 1.60E-06 atm-m3/mole (1.62E-001 Pa-m3/mole) 

3 
User-Entered Henry LC: 1.600E-006 atm-m3/mole (1.621E-001 Pa-m3/mole) 

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values] : 

HLC: 1.368E-007 atm-m3/mole (1.387E-002 Pa-m3/mole) 

VP: 0.88 mm Hg (source: User-Entered) 

WS: 1E+006 mg/L (source: User-Entered) 

Log Octanol-Air (KOAWIN v1.10) Results: 

Log Koa: 5.014 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118. 18. 

KOAWIN v1.10 Results --------------------------

Log Koa (octanol/air) estimate: 5.014 

Koa (octanol/air) estimate: 1.034e+005 

Using: 

Log Kow: 

HenryLC: 

Log Kaw: 

LogKow 

LogKow 

Henry LC: 

Henry LC: 

0.83 (user entered) 

1.6e-006 atm-m3/mole (user entered) 

-4.184 (air/water part.coef.) 

0.83 (exp database) 

0.57 (KowWin estimate) 

1.6e-006 atm-m3/mole (exp database) 

9.79e-008 atm-m3/mole (HenryWin bond estimate) 

Log Koa (octanol/air) estimate: 5.968 (from KowWin/HenryWin) 

BIOWIN (v4.10) Program Results: 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118 .18 

--------~------------------ BIOWIN v4.10 Results ----------------------------

Biowin1 (Linear Model Prediction) Biodegrades Fast 

Biowin2 (Non-Linear Model Prediction) : Biodegrades Fast 

Biowin3 (Ultimate Biodegradation Timeframe) : Days-Weeks 

Biowin4 (Primary Biodegradation Timeframe) : Days 

Biowin5 (MITI Linear Model Prediction) Biodegrades Fast 

Biowin6 (MITI Non-Linear Model Prediction) : Biodegrades Fast 

Biowin7 (Anaerobic Model Prediction) : Does Not Biodegrade Fast 

Ready Biodegradability Prediction: YES 

------+-----+--------------------------~-----------------+---------+---------

TYPE I NUM I Biowin1 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+--------------------------------------------+---------+---------

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 0.1084 I 0.1084 

Frag I 1 I Aliphatic alcohol [-OH] I 0.1587 I 0.1587 

Frag I 1 I Aliphatic ether [C-0-C] I -0.3474 I -0.3474 

MolWtl * I Molecular Weight Parameter I I -0.0563 

Constl * I Equation Constant I I 0.7475 

============+=====~======================================+=========+========= 

RESULT I Biowin1 (Linear Biodeg Probability) I I 0.6111 

============+============================================+=========+========= 

------+-----+--------------------------------------------+---------+-----~---

TYPE I NUM I Biowin2 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+--------------------------------------------+---------+---------

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 1.8437 I 1.8437 

Frag I 1 I Aliphatic alcohol [-OH] I 1.1178 I 1.1178 

Frag I 1 I Aliphatic ether [C-0-C] I -3.4294 I -3.4294 

MolWtl * I Molecular Weight Parameter· I I -1.6781 

============+============================================+=========+========= 

RESULT I Biowin2 (Non-Linear Biodeg Probability) I I 0.7032 

============+============================================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates -->Biodegrades Fast 

4 
A Probability Less Than 0.5 indicates -->Does NOT Biodegrade Fast - ----+-----+--------------------------------------------+---------+---------

TYPE I NUM I Biowin3 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+--------------------------------------------+---------+---------

Frag I 1 I Linear C4 terminal chain [CCC-CH3) I 0.2983 I 0.2983 

Frag I 1 I Aliphatic alcohol [-OH) I 0.1600 I 0.1600 

Frag I 1 I Aliphatic ether [C-0-C) I -0.0087 I -0.0087 

MolWtl * I Molecular Weight Parameter I I -0.2612 

Constl * I Equation Constant I I 3.1992 

============+============================================+=========+========= 

RESULT I Biowin3 ·(Survey Model 

- Ultimate Biodeg) I I 3.3877 

============+============================================+===~=====+========= 

------+-----+--------------------------------------------+---------+---------

TYPE I NUM I Biowin4 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+--------------------------------------------+---------+----~----

Frag I 1 Linear C4 terminal chain [CCC-CH3) I 0.2691 I 0.2691 

Frag I 1 Aliphatic alcohol [-OH) I 0.1294 I 0.1294 

Frag I 1 Aliphatic ether [C-0-C) I -0.0097 I -0.0097 

MolWtl * Molecular Weight Parameter I I -0.1705 

Constl * Equation Constant I I 3.8477 

============+============================================+=========+========= 

RESULT I Biowin4 (Survey Model 

- Primary Biodeg) I I 4.0660 

============+============================================+=========+========= 

Result Classification: 

(Primary & Ultimate) 

5.00 -> hours 

2.00 ->months 

4.00 -> days 

1.00 -> longer 

3.00 ->weeks 

------+-----+--~-----------------------------------------+---------+---------

TYPE I NUM I Biowin5 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+--------------------------------------------+---------+---------

Frag I 1 I Aliphatic alcohol [-OH) I 0.1611 I 0.1611 

Frag I 1 I Aliphatic ether [C-0-C) I 0.0015 I 0.0015 

Frag I 1 I Methyl [ -CH3) · I 0. 0004 I 0. 0004 

Frag I 5 I -CH2- [linear) I 0. 0494 I 0. 2471 

MolWtl * I Molecular Weight Parameter I I -0.3516 

Constl * I Equation Constant I I 0.7121 

============+============================================+=========+========= 

RESULT I Biowin5 (MITI Linear Biodeg Probability) I I 0.7707 

============+============================================+=========+========= 

------+-----+---------- ----------- ---------------------+---------+-------

- TYPE I NUM I Biowin6 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+~-------------------------------------------+------~--+---------

Frag I 1 I Aliphatic alcohol [-OH) I 1.0041 I 1.0041 

Frag I 1 I Aliphatic ether [C-0-C) I -0.1071 I -0.1071 

Frag I 1 I Methyl [-CH3) I 0. 0194 I 0. 0194 

Frag I 5 I -CH2- [linear) I 0.4295 I 2.1475 

MolWtl * I Molecular Weight Parameter I I -3.4116 

============+============================================+=========+========= 

RESULT IBiowin6 (MITI Non-Linear Biodeg Probability) I I 0.8982 

============+============================================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates -->Readily Degradable 

A Probability Less Than 0.5 indicates --> NOT Readily Degradable 

------+-----+--------- ----------------------------------+---------+---------

TYPE I NUM I Biowin7 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+-----------------------------------~--------+---------+---------

Frag I 1 Linear C4 terminal chain [CCC-CH3) -0.3177 -0.3177 

Frag I 1 Aliphatic alcohol [-OH) 0.1328 0.1328 

Frag I 1 Aliphatic ether [C-O-C) -0.2573 -0.2573 

Frag I 1 Methyl [-CH3) -0.0796 -0.0796 

Frag I 5 -CH2- [linear) 0.0260 0.1299 

Constl * Equation Constant 0.8361 

============+============================================+=========+========= 

RESULT I Biowin7 (Anaerobic Linear Biodeg Prob) I I 0.4442 

============+============================================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates -->Biodegrades Fast 

A Probability Less Than 0.5 indicates -->Does NOT Biodegrade Fast 

Ready Biodegradability Prediction: (YES or NO) 

5 
Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey 

model) result is "weeks" or faster (i.e. "days", ·~days to weeks", or 

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then 

the prediction is YES (readily biodegradable) . If this condition is not 

satisfied, the prediction is NO (not readily biodegradable) . This method 

is based on application of Bayesian analysis to ready biodegradation data 

(see Help). Biowin5 and 6 also predict ready biodegradability, but for 

degradation in the OECD301C test only; using data from the Chemicals 

Evaluation and Research Institute Japan (CERIJ) database. 

BioHCwin (v1.01) Program Results: 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

BioHCwin v1.01 Results ---------------------------

NO Estimate Possible ... Structure NOT a Hydrocarbon 

(Contains atoms other than C, H or S (-S-)) 

AEROWIN Program (v1.00) Results: 

Sorption to aerosols (25 Dec C) [AEROWIN v1.00]: 

Vapor pressure (liquid/subcooled): 117 Pa (0.88 mm Hg) 

Log Koa (Koawin est ) : 5.014 

Kp (particle/gas partition coef. (m3/ug)): 

Mackay model 2.56E-008 

Octanol/air (Koa) model: 2.54E-008 

Fraction sorbed to airborne particulates (phi) : 

Junge-Pankow model 9.24E-007 

Mackay model 2.05E-006 

Octanol/air (Koa) model: 2.03E-006 

AOP Program (v1.92) Results: 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------

Hydrogen Abstraction 23.3734 E-12 cm3/molecule-sec 

Reaction with N, S and -OH 0.1400 E-12 cm3/molecule-sec 

Addition to Triple Bonds 0.0000 E-12 cm3/molecule-sec 

Addition to Olefinic Bonds 0.0000 E-12 cm3/molecule-sec 

Addition to Aromatic Rings 0.0000 E-12 cm3/molecule-sec 

Addition to Fused Rings 0.0000 E-12 cm3/molecule-sec 

OVERALL OH Rate Constant 23.5134 E-12 cm3/molecule-sec 

HALF-LIFE= 0.455 Days (12-hr day; 1.5E6 OH/cm3) 

HALF-LIFE= 5.459 Hrs 

------------------~ SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------

****** NO OZONE REACTION ESTIMATION ****** 

(ONLY Olefins and Acetylenes are Estimated) 

Experimental Database Structure Match: 

Chern Name : 2-Butoxyethanol 

CAS Number:. 000111-76-2 

Exper OH rate constant 18.6 E-12 cm3/molecule-sec 

Exper OH Reference: ATKINSON,R (1989) 

Exper Ozone rate constant: cm3/molecule-sec 

Exper N03 rate constant cm3/mo.lecule-sec 

Fraction sorbed to airborne particulates (phi) : 

1.48E-006 (Junge-Pankow, Mackay avg) 

2.03E-006 (Koa method) 

Note: the sorbed fraction may be resistant to atmospheric oxidation 

6 
KOCWIN Program (v2.00) Results: 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118 .18 

--------------------------- KOCWIN v2.00 Results ---------------------------

Koc Estimate from MCI: 

1 First Order Molecular Connectivity Index .......... . 

Non-Corrected Log Koc (0.5213 MCI + 0.60) 

Fragment Correction(s): 

1 Aliphatic Alcohol ( -C-OH) . . . . . . . . . . . : -1.3179 

1 Ether, aliphatic (-C-0-C-) . . . . . . . . . . : -0.8716 

Corrected Log i<oc ................................. . 

Estimated Koc: 2.823 L/kg <=========== 

Koc Estimate from Log Kow: 

Log Kow (experimental DB) ........................ . 

Non-Corrected Log Koc (0.55313 logKow + 0.9251) 

Fragment Correction(s): 

1 Aliphatic Alcohol ( -C-OH) . . . . . . . . . . . : -0. 4114 

1 Ether, aliphatic (-C-0-C-) . . . . . . . . . . : -0.0906 

Corrected Log Koc ................................. . 

Estimated Koc: 7.624 L/kg <=========== 

HYDROWIN Program (v2.00) Results: 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118 .18 

3.914 

2.6403 

0.4508 

0.83 

1.3842 

0.8822 

HYDROWIN v2.00 Results ---------------------------

Currently, this program can NOT estimate a hydrolysis rate constant for 

the type of chemical structure entered!! 

ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens), 

Specific Alkyl Halides & Phosphorus Esters can be estimated!! 

When present, various hydrolyzable compound-types will be identified. 

For more information, (Click OVERVIEW in Help or see the User's Guide) 

***** CALCULATION NOT PERFORMED ***** 

BCFBAF Program (v3.00) Results: 

SMILES : O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118 .18 

--------------------------------- BCFBAF v3.00 -------------------------------- Summary Results: 

Log BCF (regression-based estimate) : 

Biotransformation Half-Life (days) : 

Log BAF (Arnot-Gobas upper trophic) : 

Log Kow (experimental): 0.83 

0.50 (BCF = 3.16 L/kg wet-wt) 

0.0537 (normalized to 10 g fish) 

0.14 (BAF = 1.38 L/kg wet-wt) 

Log Kow used by BCF estimates: 0.83 (user entered) 

Equation Used to Make BCF estimate: 

Log BCF = 0.50 

Correction(s): Value 

Correction Factors Not Used for Log Kow < 1 

7 
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt) 

Whole Body Primary Biotransformation Rate Estimate for Fish: 

------+-----+--------------------------------------------+---------+---------

TYPE I NUM I LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+------------------------------ -----~-------+---------+---------

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 0.0341 I 0.0341 

Frag I 1 I Aliphatic alcohol [-OH] I -0.0616 I -0.0616 

Frag I 1 I Aliphatic ether [C-0-C] I -0.0232 I -0.0232 

Frag I 1 I Methyl [-CH3] I 0.2451 I 0.2451 

Frag I 5 I -CH2- [linear] I 0.0242 I 0.1209 

L Kowl * I Log Kow = 0.83 (user-entered I 0.3073 I 0.2551 

MolWtl * I Molecular Weight Parameter I I -0.3030 

Constl * I Equation Constant I I -1.5058 

============+============================================+=========+========= 

RESULT I LOG Bio Half-Life (days) I I -1.2697 

RESULT I Bio Half-Life (days) I I 0 .. 05375 

NOTE I Bio Half-Life Normalized to 10 g fish at 15 deg C I 

============+============================================+=========+========= 

Biotransformation Rate Constant: 

kM (Rate Constant): 12.9 /day (10 gram fish) 

kM (Rate Constant): 7.252 /day (100 gram fish) 

kM (Rate Constant): 4.078 /day (1 kg fish) 

kM (Rate Constant): 2.293 /day (10 kg fish) 

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates) : 

Estimated Log BCF (upper trophic) 0.139 (BCF 1.376 L/kg wet-wt) 

Estimated Log BAF (upper trophic) 0.139 (BAF 1.376 L/kg wet-wt) 

Estimated Log BCF (mid trophic) 0.116 (BCF 1.308 L/kg wet-wt) 

Estimated Log BAF (mid trophic) 0.116 (BAF 1.308 L/kg wet-wt) 

Estimated Log BCF (lower trophic) 0.108 (BCF 1.282 L/kg wet-wt) 

Estimated Log BAF (lower trophic) 0.108 (BAF 1.282 L/kg wet-wt) 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero) : 

Estimated Log BCF (upper trophic) 0.208 (BCF 1.616 L/kg wet-wt) 

Estimated Log BAF (upper trophic) = 0.211 (BAF = 1.626 L/kg wet-wt) 

Volatilization From Water 

Chemical Name: 2-BUTOXYETHANOL 

Molecular Weight 

Water Solubility 

Vapor Pressure 

Henry's Law Constant: 

118.18 g/mole 

1E+006 ppm 

0.88 mm Hg 

1.6E-006 atm-m3/mole 

Water Depth (meters) : 

Wind Velocity (m/sec) : 

Current Velocity (m/sec) : 

HALF-LIFE (hours) 

HALF-LIFE (days ) 

RIVER 

1 

5 

1 

398.9 

16.62 

(entered by user) 

LAKE 

1 

0.5 

0.05 

4443 

185.1 

STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility 

(using 10000 hr Bio P,A,S) 

PROPERTIES OF: 2-BUTOXYETHANOL 

Molecular· weight (g/mol) 

Aqueous solubility (mg/1) 

Vapour pressure (Pa) 

(atm) 

(mm Hg) 

Henry 's law constant (Atm-m3/mol) 

118.18 

1E+006 

117.324 

0.00115789 

0.88 

1.6E-006 

8 
Air-water partition coefficient 

Octanol-water partition coefficient (Kow) 

Log Kow 

Biomass to water partition coefficient 

Temperature [deg C] 

Biodeg rate constants (hA-1),half life in biomass (h) 

-Primary tank 0.02 42.86 

-Aeration tank 0.02 42.86 

-Settling tank 0.02 42.86 

STP Overall Chemical Mass Balance: 

Influent 

Primary sludge 

Waste sludge 

Primary volatilization 

Settling volatilization 

Aeration off gas 

Primary biodegradation 

Settling biodegradation 

Aeration biodegradation 

Final water effluent 

Total removal 

Total biodegradation 

g/h 

1.00E+001 

2.66E-002 

1.51E-001 

8.66E-004 

2.36E-003 

5.85E-003 

1.76E-003 

5.27E-004 

6.94E-003 

9.80E+000 

1.96E-001 

9.23E-003 

Level III Fugacity Model (Full-Output) : 

Chern Name 2-BUTOXYETHANOL 

Molecular Wt: 118.18 

10000.00 

10000.00 

10000.00 

mol/h 

8.5E-002 

2.2E-004 

1.3E-003 

7.3E-006 

2.0E-005 

5.0E-005 

1.5E-005 

4.5E-006 

5.9E-005 

8.3E-002 

1.7E-003 

7.8E-005 

Henry's LC 

Vapor Press 

Log Kow 

soil Koc 

1.6e-006 atm-m3/mole (user-entered) 

0.88 mm Hg (user-entered) 

0.83 (user-entered) 

7.62 (KOCWIN Kow method) 

Mass Amount Half-Life Emissions 

(percent) (hr) (kg/hr) 

Air 20.3 9.2 820 

Water 32.8 120 80 

Soil 46.8 240 70 

Sediment 0.0602 1.08e+003 0 

Fugacity Reaction Advection Reaction 

(atm) (kg/hr) 

Air 2.2e-011 800 

Water 1.16e-012 99.3 

Soil 3.81e-011 70.7 

Sediment 9.02e-013 0.0202 

Persistence Time: 54 hr 

Reaction Time: 54 hr 

Advection Time: 1.88e+020 hr 

Percent Reacted: 100 

Percent Advected: 2.87e-017 

(kg/hr) (percent) 

1.06e-016 82.5 

1.72e-016 10.2 

0 7.29 

3.15e-019 0.00209 

Half-Lives (hr), (based upon user-entry): 

Air: 9. 2 

Water: 120 

Soil: 240 

Sediment: 1080 

Advection 

Air: 

Water: 

Sediment: 

Times (hr) : 

1e+020 

1e+020 

1e+020 

6.54352E-005 

6.76083 

0.83 

2.15217 

25 

and in 2000 mg/L MLSS (h) : 

percent 

100.00 

0.27 

1.51 

0.01 

0.02 

0.06 

0.02 

0.01 

0.07 

98.04 

1.96 

0.09 

Advection 

(percent) 

1.09e-017 

1. 7·7e-017 

0 

3.25e-020 

9