Compound: HEPTANE
SMILES: C(CCC)CCC
InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
Synonyms: HEPTANE, n-Heptane, 142-82-5, Heptan, Heptyl hydride, Dipropyl methane, Dipropylmethane, Gettysolve-C, Skellysolve C, Heptanen, Eptani, DTXSID6024127, 456148SDMJ, NSC-62784, DTXCID004127, CHEBI:43098, normal-Heptane, RefChem:6645, 205-563-8, MFCD00009544, NSC 62784, Pentane, ethyl-, Heptan [Polish], Eptani [Italian], Heptanen [Dutch], HP6, HSDB 90, EINECS 205-563-8, Heptanes, UNII-456148SDMJ, heptan-e, AI3-28784, 2ygu, Heptane; Dipropylmethane; Heptyl hydride; NSC 62784; Skellysolve C; n-Heptane, Heptane, for HPLC, n-Heptane, anhydrous, Heptane (GC grade), n-Heptane HPLC grade, n-Heptane, HPLC grade, HEPTANE [HSDB], Heptane, 99.5%, Heptane, technical grade, HEPTANE [II], N-HEPTANE [MI], HEPTANE [USP-RS], SCHEMBL699, Heptane, anhydrous, 99%, EC 205-563-8, Exxsol heptane (Salt/Mix), Heptane, p.a., 95%, Heptane, Laboratory Reagent, SCHEMBL2187, SCHEMBL7799, SCHEMBL8405, Heptane, analytical standard, Heptane, AR, >=99%, Heptane, LR, >=99%, SCHEMBL28775, SCHEMBL38169, SCHEMBL43457, SCHEMBL50571, SCHEMBL56232, SCHEMBL83313, SCHEMBL83477, SCHEMBL83693, WLN: 7H, Heptane, ASTM, 99.8%, SCHEMBL219110, SCHEMBL501949, SCHEMBL565828, SCHEMBL592987, SCHEMBL592988, SCHEMBL639899, n-C7H16, Heptane, p.a., 95.0%, n-Heptane, Environmental Grade, CHEMBL134658, SCHEMBL1069093, SCHEMBL1502487, SCHEMBL1592350, SCHEMBL1694238, SCHEMBL1996922, SCHEMBL3798600, SCHEMBL4147864, SCHEMBL4148929, SCHEMBL6860469, SCHEMBL6860666, SCHEMBL8874154, SCHEMBL9179105, Heptane, for HPLC, >=96%, Heptane, for HPLC, >=99%, SCHEMBL11468875, SCHEMBL23908693, Heptane, HPLC grade, >=99%, Heptane, ReagentPlus(R), 99%, MSK3502, Heptane, purification grade, 99%, Heptane, >=99% (capillary GC), Heptane, biotech. grade, >=99%, Heptanes (30-40 % n-heptane), Heptane, for HPLC, >=99.5%, NSC62784, Tox21_201213, Heptane, puriss., >=99% (GC), LMFA11000575, AKOS009158011, MSK3502-1000M, EBC-613077, Heptane, p.a., 88.0-92.0%, Heptane, UV HPLC spectroscopic, 95%, Heptane, SAJ first grade, >=98.0%, Heptane, spectrophotometric grade, 99%, Heptane, SAJ special grade, >=99.0%, NCGC00248959-01, NCGC00258765-01, CAS-142-82-5, Heptane, UV HPLC spectroscopic, 99.5%, Heptanes [UN1206]  [Flammable liquid], LS-13366, n-Heptane 100 microg/mL in Acetonitrile, H0027, H0088, H0491, Heptane, puriss. p.a., >=99.5% (GC), n-Heptane Solution in Methanol, 1000ug/mL, NS00004625, Q0037, F995188, Q310957, n-Heptane HPLC, UV-IR min. 99%, isocratic grade, n-Heptane, Spectrophotometric Grade, 99% n-Heptan, F1908-0180, B7F4D751-FB0E-4F48-9829-D952CEC36530, Heptane, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H, Heptane, Pharmaceutical Secondary Standard; Certified Reference Material, Heptane, puriss. p.a., Reag. Ph. Eur., >=99% n-heptane basis (GC), Heptane Fraction, puriss. p.a., Reag. Ph. Eur., >=99% n-heptane basis (GC), Heptane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC), 67290-43-1, n-Heptane (water < 10ppm) packed in returnable 18, 90, or 180 liter stainless steel cylinders
Theoretical properties:
molecular_formula: C7H16
molecular_weight: 100.20 g/mol
exact_mass: 100.125200510 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 4
heavy_atom_count: 7
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Gasoline-like odor
boiling_point: 209.1 °F at 760 mmHg (USCG, 1999)
melting_point: -131 °F (USCG, 1999)
density: 0.6838 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 0.0003 % (NIOSH, 2024)
flash_point: 25 °F (USCG, 1999)
vapor_pressure: 37.49 mmHg at 70 °F (USCG, 1999)
Descriptions:
pubchem: Heptane is a straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). It has a role as a non-polar solvent and a plant metabolite. It is a volatile organic compound and an alkane.
chebi: A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (<em>Pinus jeffreyi</em>).
chembl: HEPTANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Heptane or n-heptane is the straight-chain alkane with the chemical formula H3C(CH2)5CH3 or C7H16. When used as a test fuel component in anti-knock test engines, a 100% heptane fuel is the zero point of the octane rating scale (the 100 point is 100% iso-octane). Octane number equates to the anti-knock qualities of a comparison mixture of heptane and iso-octane which is expressed as the percentage of iso-octane in heptane, and is listed on pumps for gasoline (petrol) dispensed globally.