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Substance Name: 1,3-Dimethylcyclohexane
RN: 591-21-9
UNII: GXC28JSY8G
InChIKey: SGVUHPSBDNVHKL-UHFFFAOYSA-N

Molecular Formula

  • C8-H16

Molecular Weight

  • 112.214
 
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Names and Synonyms

Name of Substance

  • 1,3-Dimethylcyclohexane

Synonyms

  • 1,3-Dimethylcyclohexane
  • EINECS 209-707-0
  • UNII-GXC28JSY8G

Systematic Name

  • 1,3-Dimethylcyclohexane

Superlist Names

  • 1,3-Dimethylcyclohexane
  • Cyclohexane, 1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 591-21-9

FDA UNII

  • GXC28JSY8G

System Generated Number

  • 0000591219

Structure Descriptors

InChI

1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3

InChIKey

SGVUHPSBDNVHKL-UHFFFAOYSA-N

Smiles

C1[C@@H](CCC[C@@H]1C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 122.5 deg C   EXP
log P (octanol-water) 4.010 (none)   EST
Water Solubility 11.7 mg/L 25 EST
Vapor Pressure 21.4 mm Hg 25 EXP
Henry's Law Constant 0.450 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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