n-Heptane[正庚烷]

142-82-5

CAS Name

Heptane

Molecular Formula

C₇H₁₆

Molecular Mass

100.20

Compound Properties

• Boiling Point (1)

  98 °C

• Melting Point (1)

  -91 °C

• Density (1)

  0.68 g/cm³

Source(s)

• (1) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)

Other Names and Identifiers

InChI

InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChIKey

InChIKey=IMNFDUFMRHMDMM-UHFFFAOYSA-N

SMILES

C(CCC)CCC

Canonical SMILES

CCCCCCC

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

8031-33-2, 44607-13-8