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Substance Name: Cyclohepta-1,3-diene
RN: 4054-38-0
InChIKey: GWYPDXLJACEENP-UHFFFAOYSA-N

Molecular Formula

  • C7-H10

Molecular Weight

  • 94.156
 
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Names and Synonyms

Synonym

  • EINECS 223-762-8

Systematic Name

  • Cyclohepta-1,3-diene

Registry Numbers

CAS Registry Number

  • 4054-38-0

System Generated Number

  • 0004054380

Structure Descriptors

InChI

1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2

InChIKey

GWYPDXLJACEENP-UHFFFAOYSA-N

Smiles

C1CCC=CC=C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.10E+02 deg C   EXP
Boiling Point 120.5 deg C   EXP
log P (octanol-water) 3.240 (none)   EST
Water Solubility 60.7 mg/L 25 EST
Vapor Pressure 18.4 mm Hg 25 EST
Henry's Law Constant 0.112 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-10 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.