amzzEa 

### . o(Cooc)cco

cHoM . 2-BUTOXYETHANOL

c6o1402 moL Wz . 118.18

_____________ rh'oioal ezopecty zopote.



### son oow (ootanoz-mater). uoizins ooint (ues 

### c) . meltioe eoiot <ueg 

### c> . vapoz preaeur 

### ( ) ' mater oozuuilitv (me/s). oeozr Lc (atm-ma/moze) . --- oez onnmARY 

### (m.uo)

0.83 '
168.40 -ra.00 0.88 1E+ous z.oE-000

xonnzN nzoyzam (vu.or) aeauzte.

Expezimentaz oatabaae atzuotore Match. Name . 2-BUTOXYETHANOL cua mnm . 000111-76-2
Ezn 

### sos e. 0.83

amzcmo 

### . o(cccc)cco
coEm . 2-BUTOXYETHANOL FOR. c6o14 

### ou moz nr . 118.18 

# ___-+__'+______________________+____'+-

___ zreE 

### I mnm 

### I L000zW oamzmaNr oEacozozzom 

### I comFn 

### I nALUo 

# -___+_-_+__________-______-__-__-+____-+____

Fr=g z 

### -ros [azinhatic oaruou] 0.5473 0.5473 Frag 

### s -caz [alinhatio cazboo] 0.4911 2.4555 Fras z 

### -oo [uruzozy' aziguatio attaou] 

### -z.*uoo 1 -1.4086

aras | z 

### | o- [ozvsen, azinuatio attaou] 1-1.2566 | 

### -z.osso conat Egoatioo couotant 0.2290 -'----+ 

# -+--- ---- ------ ------ --'---- ---+ - ---- +' - ----
zoe oop 0.5666

mroovo 

### (u.«s) urogram uepozts.

napezimentaz oatabaoe atzuctnze Match.

mame . 2-BUTOXYETRANOL

mum . nnozzz-rs-z oog mP (ues 

### c). -m.o EXp oe (d=g 

### c). 168.4 

### ozp nn (mm og). n.00m-oz (pa ). z.zrE+ooz
mxp 

### vp (das 

### c). os Esp ne rec . oom CeomzcAs comsman/ (zsyn)

oazLEo 

### . o(cccc)cco comm . 2-BUTOXYETHANOL woL noa. 

### cs ozo oo nos wz . 118.18

- - ----- ----- - ocMnAnr moaVe v1.43 - ---- ----

Boizioy ooiot. 

### zoz.z« ueg 

### c (uuapteo atoin anu arowo Methou)

mezting eoint. -so.rs ues 

### c (uuanted zobaok methou) meztiog ooiot. -r.00 ues 

### c <oozu aou osze aetuod> ueao mazt rt . -oo.az ues 

### c (aouack / 

### oolu ' ogze methouo) eezeoted me. -20.31 ueg 

### c (meao Vazue)

vagor ereaoore matimatiooe 

### (zs uog 

### c). <neing an. 168.40 des 

### c <ooez eotereu>> (mn not oae« zor 

### limziuo) nn. 0.527 mm 

### us <Antoioe Methou> . 70.3 ua (Antoine methou) ve. 0.423 mm 

### os (mouifieo oraio methou)


### . so.« ea (modifisu ocain methou) vn. 2.33 mm 

### ae (maokar metunu) 

### . szo oa (mackay methou)



### 1

### aezecteu no. 0.475 mm Hs (Meao oc Az oine a oraio methouo)

. os.s ua (meao or Antoioe & Gzain msthoua)

___-+__-+______—___+_____+____- r?eE I mnM I aozL oEncaznczom I coEFF nAznm ___-+__-+__________+_____+___-^-

ozouo z -cos 21.98 21.98 ozcmg s -con- 24.22 121.10

nroun | z | - o - (nonrioe) | 25.16 | 25.16 oroun | z -oa (grimazy) au.*s 88.46 ° |

~ 

### Enuation conntaot 198.18

RESULT-uncorr 

### i BozLzNG nozmr in ueg ouzvin us«.aa auonLT- oocz I aozczNo oozmr in ues x=lvin *54.30 | aozLzNo oozmz in dee c 1

---------- -- -------------------- 181.14

-- - - - -------

- -+-----+---------- - ' '+- -- -----+--------- rYPE I mM I MELT oEocazPTzmx I cOEnF I VALUE

- --- '+- -+--- - - --'---------+------ - -+- Gronn z 'coa -s.zo -s.zo orcop s -cHo 11.27 56.35 oroop | z | - o - (000riog) | 22.23 | 22.23 oroop z -oo (ozimazr) 4

~ 

### 4.45 44.45 ° |

~ 

### Enuation conatant 122.50

aEucLr mozTzmo Pozmr iu ues oezrio 240.43 | -MmLzzNu oozNT

- - - -------------'-------

io uee C 1

- - - oo.rs

- - - -----------

nopecimentaz nater eolobizity oatabaoe match. Name . 2- BUTOXYETHANOL 

### oun . 000111-76-2 oro wooz . zn+noo ms/L <xu uee c>

auzzna . o(occc)cco coEm . o MOLmOR. cs H14 oc Mon wr . 118.18 ----------------- Wanom v1.41 Reouzte ------------ Log x»w (eotimateu) . 0.57 . Los Kow <exparimentaz>. 0.83 cao mo. 000zzz-ro-x

mame . n - a=fer . oAo cH ' c Er AL. <zsos> Log oow oaeu ur matez ooznbizity eotimatae. 0.83 (ooer eotezeu)

Emzatioo Uoeu to Make nater aol eotimate. Los a (uoz/L) = o.s»s-o.ys zos now-o.uooc(zm-os) o.uoaz4 wn + oozzaotioo
m=zting Pt (Tm) = -ru.00 ues c (noe zm = os foz azz zimzida)
cozzeotioo(a). Vazue

------ - Azonhnz ' alinhatic 0.424
Los Water uozubizity (io mozeo/L) . o.usz nater aozobizitr at os uas o (mg/L). 1.051e+005

wuTEumr Pkosram (,1.01) meaozta.

2mzpezimentaz watez aozcbility oatabaao matoh.

mame . 2- BUTOXYETHANOL mum . 000111'76-2 Ezp naoz . zE+oos mg/L (20 uey c)

amzLEo . o(cccc)cco cHmm . 2- BUTOXYETHANOL FoR. ca ozu oz MoL mz . 118.18 ___-+__-+______________________+_____+___-- rreE I moM I nArsR SozUazazTr oRu:mEmr oEaoazurzmx I coEFe I nALnE ___-+__-+______________________+_____+____-

nras z -coa [aliphatic carbon] -n.sozs 1 -o.azzs mzay s -cox- [aziouatic cazbon] -0.5370 1 -c.00sz

mrae z oe [h,urony, aziphatio attacu] 1.6012 1.6012 Frag | z | o- [pxvgoo' azipuatio attaoh] | z.ov«e | 1.2746 cooat Ennation c000tant 0.2492

--- +-----+ ----- ------ ------ ---+---- +------- Loy mater ooz (mozea/L) at us ueo c = 0.1187 natez aoznuilitr <ms/L> at 25 uec c =1.5532e+005

mooaAR orosram (vu.00) aeaozto.

oMzLEa . o(cccc)oco comm . 2- BUTOXYETRANOL cAa mam. cuemzol. chemzo2. chemzos. MOL FOR. c6u1402 moL wT . 118.18 Log oow. 0.57 <Kovmio eotimate> melt et. -74.80 ueg C Wat aoz. za+noo ms/L (meaoorem)

Nentral organioa Predicted

meocral ozsaoino . Fiou ys-ur Lcso 1662.199 meotzaz Organics rioh zu-uay Lcsu 1642.288 montraz ozgaoioo . oaguniu 48-uz Lcso 758.331 meotral orsaoioa . uzeeo Azgae oo-uz Ecsn 193.161 Neotraz ozganios . nioh ao-uar cuV 157.315 meutzaz ozganice . oanhoiu cuV 70.055 meotraz orsanioa . creen Azy^e chv 58.122 meutral ozsauice . Fiah <om> yo-hr Lcso 2576.e27 meutraz ozsauico . mroiu ourimg ys-ur zcsn «aoo.uoo meutraz orsanioa . Fiah (am) Cuv 106.220 meotral oreaoioa

. M voiu ouzinm ( om) cuv 609.157
m=o t raz ozgaoioo * . Eazthwocm z«-uar Lcso 289.320
mote. ^ ~ aotezisk uenignataa. chemioaz may oot ue aoznbze eaough to meaonre thinpzedioten ecfect.
meotrvz oiganico.

------- ------- For Finh ocso (oo-u) ' oaouoiu Losu ' mxoiu. zf tue log nov i.s szeater thao 5.0, oz if c»e com000nu io ooliu aou the Loso exceeua the water oozuuizitr by zoX ' no rffeoto at eatozatioo aze nzeuicteu.
Foz rioh ucsu <14-uar> anu Eartuworm ucso. zc tue loy mzn ie oreater tuao 6.0, or if the ocmpounu ia onzia aod the Lcso exoeeuo tue wator oolobizit' u' zoX ' oo ezceoto at oaturatioo ace predicteu.
aor uzeen Alsae Acute coxioity vazoaa. zc tue zos nnw of the ohemicaz ia yreater thao 6.4, or if tue comgoonu io ooziu aou the ocso exoeema tue water oozobizity »y zoX, oo effecta at aatozatiou ara preuioteu cor theae nodpointo.
For uzz cuzooio zoxicity vaznee. zf the log now oc tue chemicaz ia sraater tuau 8.0, or ix the oonponnu io aozid aod tue ouV ezceeuo the water oolobility

~

### b' zuo ' oo ezzecto at aaturation aze gzeuioteu for these eounointo,

ncoaAR nz.no uAR Limitationo. maximum Losouw. 5.0 (Fioh yo-hr Lcso / oaghniu scso. mraiu Lcso) maxinmm Losnov. 6.0 (Fioh 14-oay LCso/ Eartuwozm LCso) mazimum cogKow. 6.4 (oreen Algae Ecsn} maximnm LosKow. 8.0 (ccm) Mazimum moz mt. zoon

oamayWzm (v.00) Prosram oeaozte.

000u not . y.rau-ooa atm-ms/mole (9.92m-003 ea-ms/mola)

amzLno . o(cccc)cco
comm . o MoL FoR. cn oza oc MoL wT . 11e.18 - ' - - - - ' - ----- Hoomrmzm rz.co neeolto --------------- Experimeotaz oatabaae atructore matou. Name

. 2- BUTOXYETHANOL 

### cAa omm

. ouozzz-rn-o Exp HuC

. z.snm-no atm-mz/moze (u.zao ea'mo/moze)
zemuez

. ns ues c Exp oaf

. zoaoNanN.0 & osNmazoa ' e (zyoa)

_____+______________________-+____-+_____ czAao I oomo comrazanrzom oEScazuTzmx I cowwEmr I voLno _____+___________________~-__'+____-+_____ HoDaoomm 13 ordroseo to cazbon (azipuatio) 000uo -1.5558 osDaooEm 1 orurosen to ozsgen 000ua 3.2318 FomGmmNT | 4 c c | | 0'4652 nuuGMEmr a c-o 3.2564 ----------+--- --- - -- ------------- --- + --------+ -- - -- REenLr I acNo EarzsAczmn mmz000 foz zwApc nALnm I TozAL 1 5.398

-- - - - - - - -+- - --- -- - - - - - - - - - - - - -- -- `- - - - - - + - - - - - - - - - + - - - - - oomars zAw coNuzANT at ns ues c ~ y.roE uoo atm-ma/mole = 4.00E-006 nuitlaon = s.yum-oos na-m3/moze

____+_______________________-+______+____ I Gnooe comrRzonTzom ooScRzvrzum I comMEmT I vALUm ____+_______________________-+______+____

z cHs (o) -o.ox c cHc (o) (c) -o.ao s cuo (c) (o) -o.ss | z o-o (c) | | 4.45

~ 

### z o (c)(c) o.y» ____+__________________---____+______+____ amaozT I unonp morznmzzmu uar000 zoz LnG :AMaA vALUE I cozAL 1 6.07 ____+_______________________-+__-,___+____ HomnYa zAm ccNarAmr at xs ueg c = u.00E-oou atm-ms/mole = o.szE-oor ooitleao = u.zzE'uoa Pa-ms/moze

For Henry ac comoari000 evzpoaea. Eopez oatabaoe. 1.60E-06 atm-mo/moze (1.62m-001 na-ms/moze) no Entezed Henry Lc. z.suou-oos atm-oo/moze (1.621E uoz ea-ma/moze) oenzyo Lc [via vx/Waoz eatimace uoiug naer Eotered or motimateuvazueo]. HLo. z.sooE-oor atm-ms/mole <z.sorE-000 oa'ms/mole>
vo. 0.88 mm og (oouroe. Ueez-Entereu)
wa. zo+oos mg/L (aource. nsez motezeu)

Loe octanoz-Aiz (xzmWzm "1.10) oeouzto.

rAlLog 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: 0.83 (user entered) HenryLC: 1.6e-006 atm-m3/mole (user entered) Log Kaw: -4.184 (air/water part.coef.)

LogKow : 0.83 (exp database) LogKow : 0.57 (KowWin estimate) Henry LC: 1.6e-006 atm-m3/mole (exp database) Henry LC: 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

Biowinl (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 ( NUM 

## I Biowinl FRAGMENT DESCRIPTION 

## I COEFF 

## I VALUE

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

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

--- r

----- + --------- Frag 1 Linear C4 terminal chain [CCC-CH3] ( 0.1084 0.1084 Frag ( 1( Aliphatic alcohol [-OH] 0.1587 0.1587 Frag 1 Aliphatic ether [C-O-C] -0.3474 -0.3474 MolWtl *( Molecular Weight Parameter -0.0563 Constj *( Equation Constant 0.7475

RESULT Biowinl (Linear Biodeg Probability) 0.6111

------+-----+--------------------------------------------+---------+--------- TYPE 

## I NUM Biowin2 FRAGMENT DESCRIPTION ( COEFF 

## I VALUE

------+-----+--------------------------------------------+---------+--------- Frag 1 Linear C4 terminal chain [CCC-CH3] 1.8437 1.8437 Frag 1 Aliphatic alcohol [-OH] ( 1.1178 1.1178 Frag 1 Aliphatic ether [C-O-C] -3.4294 -3.4294 Mo1Wt) 

## * I Molecular Weight Parameter -1.6781

RESULT Biowin2 (Non-Linear Biodeg Probability) 0.7032

• Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast • Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

------+-----+--------------------------------------------+--------=+--------- TYPE 

## I NUM 

## I Biowin3 FRAGMENT DESCRIPTION 

## I COEFF 

## I VALUE

------+-----+--------------------------------------------+---------+--------- Frag 1( Linear C4 terminal chain [CCC-CH3] 0.2983 0.2983 Frag 1 Aliphatic alcohol [-OH] 0.1600 ( 0.1600 Frag 1 Aliphatic ether [C-O-C] -0.0087 -0.0087 MolWtl 

## * I Molecular Weight Parameter -0.2612 Constj 

## * I Equation Constant 3.1992RESULT Biowin3 (Survey Model - Ultimate Biodeg) 3.3877

- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - TYPE 

## I NUM 

## I Biowin4 FRAGMENT DESCRIPTION 

## I COEFF 

## I VALUE

----------------------------------------------------------------------------- Frag I Linear C4 terminal chain [CCC-CH3] 0.2691 0.2691 Frag 1 Aliphatic alcohol [-OH] 0.1294 

## I 0.1294 Frag I Aliphatic ether (C-0-C) -0.0097 -0.0097 molwtl * 

## I Molecular Weight Parameter -0.1705 Constj * Equation Constant 3.8477

RESULT Biowin4 (Survey Model
- Primary Biodeg) 4.0666

Result Classification: 5.00 hours 4.00 days 3.00 weeks (Primary & Ultimate) 2.00 months 1.00 longer

----------------------------------------------------------------------------- TYPE 

## I NUM 

## I Biowin5 FRAGMENT DESCRIPTION 

## I COEFF 

## I VALUE

----------------------------------------------------------------------------- Frag 1 Aliphatic alcohol [-OH] 0.1611 0.1611 Frag I Aliphatic ether [C-O-C] 0.0015 0.0015 Frag I Methyl [-CH3] 0.0004 0.0004 Frag 5 -CH2- [linear] 

## I 0.0494 0.2471 molwtl * 

## I Molecular Weight Parameter -0.3516 Consti * 

## I Equation Constant 0.7121

RESULT Biowin5 (MITI Linear Biodeg Probability) 0.7707

----------------------------------------------------------------------------- TYPE 

## I NUM 

## I Biowin6 FRAGMENT DESCRIPTION 

## I COEFF 

## I VALUE

----------------------------------------------------------------------------- Frag I Aliphatic alcohol [-OH] 1.0041 1.0041 Frag 1 Aliphatic ether [C-O-C] -0.1071 -0.1071 Frag 1 Methyl [-CH3] 0.0194 0.0194 Frag 5 -CH2- [linear] 0.4295 2.1475 molwtl * 

## I Molecular Weight Parameter -3.4116

RESULT IBiowinG (MITI Non-Linear Biodeg Probability)l 

## 1 0.8982

• Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable • Probability Less Than 0.5 indicates --> NOT Readily Degradable

----------------------------------------------------------------------------- TYPE NUM 

## I Biowin7 FRAGMENT DESCRIPTION 

## I COEFF 

## I VALUE

------------------------------------------------------------------- Frag I Linear C4 terminal chain [CCC-CH3] -0.3177 -0.3177 Frag I Aliphatic alcohol [-OH] 0.1328 0.1328 Frag 1 Aliphatic ether [C-0-C] -0.2573 -0.2573 Frag 1 Methyl [-CH3] -0.0796 -0.0796 Frag 5 -CH2- [linear] 0.0260 0.1299 Constj Equation Constant 0.8361

RESULT Biowin7 (Anaerobic Linear Biodeg Prob) 0.4442

• Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast • Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Ready Biodegradability Prediction: (YES or NO)

---------------------------------------------- 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 BiowinS (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.



## 0oioecw±n (v1.01) pzoeram aeeozte.

omzuuo 

### . o<occc>cco coEm . 2-BUTOXYETHANOL ca o14 

### oz moL mT . 118.18



### ------ - -------- aioocwio ,1.01 ueanzta ---'- -----------

mn motimate 0000ible

... atzuctore moz a oydrocaruoo

A000Wzm uzoszam (vz.00) aeoulta.

oorgtion to aeroauzo 

### (os oen 

### c) [AEaowzN r1.00]. vapoz oreaoure (ziquiu/auucooleu). 117 ra (n.ao mm og) Los Koa (ooaain eot ). 5.014



### oo (partioze/san gartitioo coec. 

### (ma/uo}). Mackar modez . u.soE-000 octanoz/air <ooa> mouel. c.s«m ooa nraction oozbem to air»ozoe gazticuzateo (phi).
oozge eancow mouez . o.ouE-nor maokay mouoz . u.osE oos ootaooz/aiz <ooa> mouez. n.osE-000

oO» nrosram 

### (u.ox) Reoozto.

coEm

. 2-BUTOXYETRANOL FOR. c6o1402 MoL Wr . 118.18 --------------'--- ocMmxnY (AOP vz.yo). oroaoXYn auozcA-LS 

### (cs ues 

### c) '- - -- Hydrogen ouotraotiou ~ 23.3734 

### a-zc omz/molecoze-aeo aeaotioo witu N. a aou 

### -oo ~ 0.1400 

### n-zo cne/mozeooze-aeo Auuitioo to crirze oouuo o.000um 12 omz/mozeouze-aec Auuitioo to ozefioic aondo ~ 0.0000 E-12 oms/mozeouze'aeo uddition to Aromatic aiosa ~ 0.0000 m 

### zo oma/molaooze-oec Axuition to mzaeu niosa 0.0000 m-zo oma/mozecole-seo

ovmaAnn 

### no uats c000taot = 23.5134 E-zz =s/mozeoozo-oeo HmLF'za*E ~ 0.455 oara 

### (zo'ur uar/ 1.5m6 oo/cms) 14oLr-LzaE ~ 5.459 Hzo



### ------------- - ooammnr (Aoo 

### v1.e1). oZoNm oEAcTzom 

### <us uee 

### c> ' --

°°°°°° mo oxomm aEAcczom EoTzMxrzom °°^°°°

Eopezimeotaz oatauaoe atzucture matcu. chem mame . u-aotuzyethaooz cua momber. 000111-76-2 Ezper 

### oo zate 000etaot

. 

### zo`s o-12 cma/moleoule-oeo Ezoez 

### oo aefezence. AzozNaom ' a 

### (zooe) mzrez 000no rate 000ataot. oms/mozecuzo-oeo Espez mos rate cooatant . - cms/mozeouze-oeo nraotioo oorueu to airboroe particolateo 

### <pui>. 1.48E-006 <zunse-uankov ' maokay avg> o.u»E ooa <Koa met»ou> mvte. the oorueu fraotiou may be reeiataot to atmoepheri, ozivatioo

noonzm rcogcam (v2.00) aeoozto.

SmzLEo 

### . o(cccc)ccn

comm . 2-BLTTOXYETHANOL c6H140e MoL nr . 118.18 

### -------------- uocwzm vz.00 aeouzta -------------'

noo matimate xrom 

### woz.



# ___________ VAFirst Order Molecular Connectivity Index

........... 3.914

Non-Corrected Log Koc (0.5213 MCI + 0.60)

.......... 2.6403 Fragment Correction(s):
I Aliphatic Alcohol (-C-OH)

........... -1.3179 1 Ether, aliphatic (-C-O-C-)

.......... -0.8716 Correctdd Log Koc

.................................. 0.4508

Estimated Koc; 2.823 L/kg

Koc Estimate froM Log Kow:

Log Kow (experimental DB)

......................... 0.83 Non-Corrected Log Koc (0.55313 logKow + 0.9251)

.... 1.3842 Fragment Correction(s): 1 Aliphatic Alcohol (-C-OH)

........... -0.4114 1 Ether, aliphatic (_C_O_C_)

........... -0.0906 Corrected Log Koc

.................................. 0.8822

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 --------------------------- 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 estimatedl!

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): 0.50 (BCF = 3.16 L/kg wet-wt) Biotransformation Half-Life (days) : 0.0537 (normalized to 10 g fish) Log BAF (Arnot-Gobas upper trophic): 0.14 (BAP = 1.38 L/kg wet-wt)

Log Kow (experimental): 0.83 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

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

Whole Body Primary Biotransformation Rate Estimate for Fish:

-------------

----------------------------------------------------------------------------- TYPE 

## I kW 

## I LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION 

## I COEFF 

## I VALUE

----------------------------------------------------------------------------- Frag 1 Linear C4 terminal chain [CCC-CH3] 0.0341 0.0341 Frag 1 Aliphatic alcohol [-OH] -0.0616 -0.0616 

# n

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

Frag 1 Methyl [-CH3] 0.2451 0.2451 Frag 5 -CH2- [linear] 0.0242 0.1209 L Kowl * 

## I Log KOW = 0.83 (user-entered 0.3073 0.2551 molwtl * 

## I Molecular Weight Parameter -0.3030 Constj * 

## I Equation Constant -1.505B

RESULT LOG Bio Half-Life (days) -1.2697 RESULT Bio Half-Life (days) 0.05375' NOTE Bio Half-Life Normalized to 10 g fish aL ib deg C

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 (I 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 l(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 118.18 g/mole Water Solubility 1E+006 ppm Vapor Pressure 0.88 mm Hg Henry's Law Constant: 1.6E-006 atm-m3/mole (entered by user)

RIVER LAKE

--------- --------- Water Depth Ameters): 1 1 Wind Velocity (m/sec): 5 0.5 Current Velocity (m/sec): 1 0.05

HALF-LIFE (hours) 398.9 4443 HALF-LIFE (days ) 16.62 185.1

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) 118.18 Aqueous solubility (mg/1) 1E+006 Vapour pressure (Pa) 117.324

(atm) 0.00115789 (mm Hg) 0.88 Henry Is law constant (Atm-m3/mol) 1.6E-006 Air-water partition coefficient 6.54352E-005 Octanol-water partition coefficient (Kow) 6.76083 Log Kow 0.83 Biomass to water partition coefficient 2.15217 Temperature [deg C] 25 Biodeg rate constants (h'-1),half life in biomass (h) and in 2000 mg/L MLSS (h): -Primary tank 0.02 42.86 10000.00 -Aeration tank 0.02 42.86 10000.00 -Settling tank 0.02 42.86 10000.00

STP Overall Chemical Mass Balance:

J

# _________________ g/h mol/u

znfzoeut 1.uoE+001 

### o.so-uou
nzimarr ozudge 2.66m-002 o.nm-uo« waote azooge 1.51m-001 z.sE-uos nzimazr volatizioation a.aaE-oou r.sE ooa eettlioe mzzatizixatioo u.oam 

### oos o.om 

### oos Aeratimz ozc gaa s.usm-ous s.oE 

### oos

nrimarr biodeerauatioo z.rsE-oos z.sE 

### oos oettzins uiodegzauatioo s.orE 

### oou u.sm-oue Aeratino bioueszauatiuu s.00E-oou s.om-oos

nioal nater efzzoeot o.00m+000 o.sm-000

rotaz removaz 

### z.yeu-ooz z.rm-ooz zotaz biouesrauatiou s.usm-ooa r.om-oos perceu

100.00

0.27 1.51 0.01 0.02 0.06

0.02 0.01 0.07

98.04

1.96 0.09

Lenez zzz mosaoitr souez (Fozl-oatput).

chem Name . 2-BUTOXYETHANOL

nt. 118.18 Henry'o LC . z.se-ous atm-m3/mole (user-entered) Vapor aa . 0.88 mm Hg (naez-entereu) Los uow . 0.83 (uoer-=ntereu) ooiz Koc . 7.62 (oocmzm ovm metuod)

maao umouot oalf-Life Emiaeiona <peroeot> (hz) (ks/hr) Aiz 20.3 9.2 

### ouo watez 1 32.8 

### zuo oo ooiz *o.o 240 

### vo oeuimeot 0.0602 z.one+uos 

### o

aueaoitr aeactioo uuvectiou oeaotiou (atm) (»s/hz) (ks/ur) (oeroent) Aiz 2.2e-011 000 z.uoe-ozs 82.5 natar z.zoe-ozo 

### ys.s 1.72e-016 10.2 ooiz s.oze'uzz 70.7 n 7.29 aedimeot y.oue-uzs 0.0202 3.15e-019 0.00209

Peroioteooe Time. 

### s« hz aeaotiou Time. 

### su hz Auveotiou Time. z.00e+000 hr neroeot aeaoteu. 

### zoo eeroeot Auvecteu. u.ore ozr

oazx-Livea (hr)' (baaeu upoo oaer-entzy) . Aiz. 9.2 mater. 

### zoo aoiz. nuo oeuimeot. zono

Aunection Timeo (ur). Aiz. ze+oxo nater. ze+000 eedimeot. le+nou Advection (pezceot) z.00e-uzr

z.ne-ozr 

### o s.ose-000



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