Heptane
Properties
- Molecular formula
- C7H16
- Molar mass
- 100.20 g/mol
- Exact mass
- 100.1252 Da
- Density
- 0.68 g/mL
- Melting point
- −91 °C
- Boiling point
- 98 °C
- Flash point
- -7 °C (closed cup)
- Water solubility
- 3.4 mg/L (25 °C)
- logP
- 2.98Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H315 Causes skin irritationSkin corrosion/irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-008-00-2[1]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
142-82-5SMILES
CCCCCCCInChIKey
IMNFDUFMRHMDMM-UHFFFAOYSA-NInChI
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Dipropylmethane
- Heptyl hydride
- n-Heptane
- Skellysolve C
- NSC 62784
Safety data sheets
3 stored sheets list this compound in section 3, matched by the CAS number 142-82-5. Each row opens the sheet with its composition and PDF.
Work with Heptane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Octane111-65-9100 % similar
Nonane111-84-2100 % similar
Dodecane112-40-3100 % similar
Icosane112-95-8100 % similar
Undecane1120-21-4100 % similar
Decane124-18-5100 % similar
Tetratriacontane14167-59-0100 % similar
Tetracontane4181-95-7100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds