Heptane
A hydrocarbon, C7H16, 100.205 g/mol. Boiling point 98.38 °C, melting point -90.549 °C, as published.
Identifiers
- Molecular formula
- C₇H₁₆
- Molecular weight
- 100.205 g/mol
- Exact mass
- 100.125201 g/mol
- IUPAC name
- heptane
- CCCCCCC
- InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
- IMNFDUFMRHMDMM-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 209.1 °F at 760 mmHg (USCG, 1999)
- 98.38 °C
- Melting Point
- -131 °F (USCG, 1999)
- -90.549 °C
- Density
- 0.6838 at 68 °F (USCG, 1999) - Less dense than water; will float
- 0.6795 g/cu cm at 25 °C
- Solubility
- 0.0003 % (NIOSH, 2024)
- In water, 3.40 mg/L at 25 °C
- Vapor Pressure
- 37.49 mmHg at 70 °F (USCG, 1999)
- 46.0 [mmHg]
- LogP
- log Kow = 4.66
- 4.66
- Flash Point
- 25 °F (USCG, 1999)
- -4 °C
- Refractive Index
- Index of refraction = 1.3855 at 25 °C
Calculated properties
- Molecular weight
- 100.2 g/mol
- Exact mass
- 100.12520051 Da
- XLogP3
- 4.4
- Polar surface area
- 0 Ų
- Complexity
- 19
- H-bond donors
- 0
- H-bond acceptors
- 0
- logP
- 2.9767
- Topological polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 0
- Rotatable bonds
- 4
- Molar refractivity
- 34.433 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.4763
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 7
- Total atoms, hydrogen included
- 23
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is heptane.
The sources also call it n-Heptane, Heptan, Heptyl hydride, Dipropyl methane, Dipropylmethane, Gettysolve-C, Skellysolve C, Heptanen, Eptani, DTXSID6024127, 456148SDMJ.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Heptane. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under H
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C7H16 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Heptane for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.