Compound: Undecane
SMILES: C(CCCCC)CCCCC
InChIKey: RSJKGSCJYJTIGS-UHFFFAOYSA-N
Synonyms: Undecane, N-UNDECANE, 1120-21-4, Hendecane, DTXSID9021689, JV0QT00NUE, NSC-66159, DTXCID301689, CHEBI:46342, RefChem:6337, 214-300-6, MFCD00008959, n-Hendecane, Decane, methyl-, Undecane, >=99%, 61193-21-3, UND, CCRIS 3796, HSDB 5791, EINECS 214-300-6, UNII-JV0QT00NUE, NSC 66159, UN2330, BRN 1697099, undecan, Hendekan, Undekan, AI3-21126, Undecane, 99%, Undecane [UN2330]  [Flammable liquid], UNDECANE, N-, N-UNDECANE [HSDB], EC 214-300-6, SCHEMBL8462, SCHEMBL25023, SCHEMBL29116, SCHEMBL59739, Undecane, analytical standard, 4-01-00-00487 (Beilstein Handbook Reference), SCHEMBL101900, SCHEMBL102732, SCHEMBL103664, SCHEMBL161963, SCHEMBL211481, SCHEMBL340033, SCHEMBL594216, SCHEMBL594217, CHEMBL132474, orb1908971, orb3024958, QSPL 058, SCHEMBL1388013, SCHEMBL1388254, SCHEMBL2277028, SCHEMBL3690437, SCHEMBL3799882, SCHEMBL3936494, SCHEMBL4136796, SCHEMBL4137127, SCHEMBL6860012, SCHEMBL6860591, SCHEMBL8581390, SCHEMBL9116091, SCHEMBL9668013, SCHEMBL9668546, SCHEMBL9669445, SCHEMBL9801308, SCHEMBL9801385, SCHEMBL9801450, SCHEMBL9801696, n-C11H24, SCHEMBL11518028, SCHEMBL11852362, SCHEMBL11855184, SCHEMBL14686429, SCHEMBL14686465, SCHEMBL14686544, SCHEMBL14688399, SCHEMBL22445024, CH3-[CH2]9-CH3, MSK3506, HY-N8593, NSC66159, Tox21_300076, LMFA11000591, AKOS005145675, EBC-618563, UN 2330, NCGC00247896-01, NCGC00254001-01, FU168486, LS-14030, CAS-1120-21-4, DB-041031, CS-0148678, NS00004614, U0002, F692534, Q150731, 17398EC4-D16F-42F6-8A27-60F8EC075469, InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H
Theoretical properties:
molecular_formula: C11H24
molecular_weight: 156.31 g/mol
exact_mass: 156.187800766 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 8
heavy_atom_count: 11
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Faint odor
boiling_point: 384.6 °F at 760 mmHg (NTP, 1992)
melting_point: -14.1 °F (NTP, 1992)
density: 0.74017 at 68 °F (NTP, 1992) - Less dense than water; will float
solubility: In water, 0.014 mg/L at 25 deg (critical evaluation of all available data)
flash_point: 149 °F (NFPA, 2010)
vapor_pressure: 0.41 [mmHg]
Descriptions:
pubchem: Undecane is a straight-chain alkane with 11 carbon atoms.
chebi: A straight-chain alkane with 11 carbon atoms.
chembl: UNDECANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Undecane (also known as hendecane) is a liquid alkane hydrocarbon with the chemical formula CH3(CH2)9CH3.  It is used as a mild sex attractant for various types of moths and cockroaches, and an alert signal for a variety of ants. It has 159 isomers.
Undecane may also be used as an internal standard in gas chromatography when working with other hydrocarbons. Since the boiling point of undecane (196 °C) is well known, it may be used as a comparison for retention times in a gas chromatograph for molecules whose structure has been freshly elucidated. For example, if one is working with a 50 m crosslinked methyl silicone capillary column with an oven temperature increasing slowly, beginning around 60 °C, an 11-carbon molecule like undecane may be used as an internal standard to be compared with the retention times of other 10-, 11-, or 12- carbon molecules, depending on their structures.