Cycloheptane

Compound Structure:

Synonyms:

Cycloheptane; Heptamethylene; Suberane; cycloheptan

Compound ID:

NMPC-913

PubChem ID:

9265

Molecular Formula:

C7H14

Canonical SMILES:

C1CCCCCC1

InChIKey:

DMEGYFMYUHOHGS-UHFFFAOYSA-N

About the compound:

Cycloheptane is a cycloalkane with the molecular formula C7H14. Cycloheptane is used as a nonpolar solvent for the chemical industry and as an intermediate in the manufacture of chemicals and pharmaceutical drugs. It may be derived by Clemmensen reduction from cycloheptanone. Cycloheptane vapour is irritating to the eyes and may cause respiratory depression if inhaled in large quantity.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	98.19 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	98.109550447 g/mol
Monoisotopic Mass	98.109550447 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	19.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Cycloheptane appears as a colorless oily liquid. Insoluble in water and less dense than water. Flash point 60 °F. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.
Boiling Point	118.48 °C at 760 mm Hg
Melting Point	-8.0 °C
Density	0.811 (USCG, 1999) - Less dense than water; will float
Solubility	Very soluble in ethanol and ether; soluble in benzene, and chloroform
Vapor Pressure	21.6 [mmHg]

Source: PubChem

Source Species:

Bryophyllum pinnatum

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