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Substance Name: 2-Methylhexa-1,5-diene
RN: 4049-81-4
InChIKey: SLQMKNPIYMOEGB-UHFFFAOYSA-N

Molecular Formula

  • C7-H12

Molecular Weight

  • 96.1718
 
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Names and Synonyms

Synonym

  • EINECS 223-751-8

Systematic Name

  • 2-Methylhexa-1,5-diene

Registry Numbers

CAS Registry Number

  • 4049-81-4

System Generated Number

  • 0004049814

Structure Descriptors

InChI

1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3

InChIKey

SLQMKNPIYMOEGB-UHFFFAOYSA-N

Smiles

C(C(C)=C)CC=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.29E+02 deg C   EXP
Boiling Point 88.1 deg C   EXP
log P (octanol-water) 3.560 (none)   EST
Water Solubility 31.6 mg/L 25 EST
Vapor Pressure 76.5 mm Hg 25 EST
Henry's Law Constant 0.264 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.60E-11 cm3/molecule-sec 25 EXP

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