Compound: HEXADECANE
SMILES: C(CCCCCCCC)CCCCCCC
InChIKey: DCAYPVUWAIABOU-UHFFFAOYSA-N
Synonyms: HEXADECANE, n-Hexadecane, 544-76-3, Cetane, n-Cetane, F8Z00SHP6Q, DTXSID0027195, CHEBI:45296, NSC-7334, PARAFOL 16-97, DTXCID607195, RefChem:5883, 208-878-9, Hexadekan, Cetan, MFCD00008998, Zetan, Hexadecane-1-D  98 atom % d, hexadecan, Pentadecane, methyl-, Hexadecane, analytical standard, CCRIS 5833, HSDB 6854, NSC 7334, EINECS 208-878-9, CNS, BRN 1736592, AI3-06522, UNII-F8Z00SHP6Q, Hexadecane; Cetane; NSC 7334; S 6 (alkane); n-Cetane; n-Hexadecane, Hexadecane solution, n-Hexadecane 10 microg/mL in Acetone, Hexadecane, >=99%, HEXADECANE, N-, HEXADECANE [HSDB], Epitope ID:969158, EC 208-878-9, Hexadecane, p.a., 99%, SCHEMBL14915, SCHEMBL22136, SCHEMBL99730, 4-01-00-00537 (Beilstein Handbook Reference), Hexadecane_RamanathanGurudeeban, SCHEMBL101278, SCHEMBL101348, SCHEMBL153008, SCHEMBL198355, SCHEMBL198378, SCHEMBL198676, SCHEMBL338886, SCHEMBL385280, CHEMBL134994, orb2279165, orb3139715, QSPL 025, QSPL 078, QSPL 116, SCHEMBL2231040, SCHEMBL2233861, SCHEMBL4641274, SCHEMBL4871727, SCHEMBL6479161, SCHEMBL6660735, SCHEMBL9801443, SCHEMBL9801479, Hexadecane, anhydrous, >=99%, SCHEMBL10424082, SCHEMBL11048921, SCHEMBL11229237, SCHEMBL11579416, SCHEMBL11875184, SCHEMBL14686446, SCHEMBL14686448, SCHEMBL14686455, SCHEMBL14686468, SCHEMBL14686589, SCHEMBL14688381, SCHEMBL14688391, SCHEMBL15602676, SCHEMBL18660194, MSK3511, NSC7334, CH3-[CH2]14-CH3, Hexadecane, ReagentPlus(R), 99%, Tox21_300485, LMFA11000577, STL453674, AKOS025212855, EBC-617237, Hexadecane, purum, >=98.0% (GC), HY-W099580, NCGC00164132-01, NCGC00164132-02, NCGC00254306-01, AS-56424, CAS-544-76-3, SY010655, DB-052582, Hexadecane, Vetec(TM) reagent grade, 98%, CS-0152222, H0066, NS00009955, S0288, D97389, F689651, Q150843, 5166841B-BF92-4A7D-8CEF-0B01B374ED0E, F0001-6121, InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H
Theoretical properties:
molecular_formula: C16H34
molecular_weight: 226.44 g/mol
exact_mass: 226.266051085 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 13
heavy_atom_count: 16
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Odorless (without any specific odor)
boiling_point: 549 °F at 760 mmHg (NTP, 1992)
melting_point: 64.7 °F (NTP, 1992)
density: 0.77331 at 68 °F (NTP, 1992) - Less dense than water; will float
solubility: In water, 2.1X10-5 mg/L at 25 °C
flash_point: 275 °F (NTP, 1992)
vapor_pressure: 0.00143 [mmHg]
Descriptions:
pubchem: Hexadecane is a straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. It has a role as a volatile oil component, a non-polar solvent and a plant metabolite.
chebi: A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.
chembl: HEXADECANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hexadecane (also called cetane) is an alkane hydrocarbon with the chemical formula C16H34.  Hexadecane consists of a chain of 16 carbon atoms, with three hydrogen atoms bonded to the two end carbon atoms, and two hydrogens bonded to each of the 14 other carbon atoms. Isohexadecane is a branch chained isomer of hexadecane.