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Substance Name: 2-Methylheptane
RN: 592-27-8
UNII: YU6SU8CCVB
InChIKey: JVSWJIKNEAIKJW-UHFFFAOYSA-N

Molecular Formula

  • C8-H18

Molecular Weight

  • 114.23
 
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Names and Synonyms

Name of Substance

  • 2-Methylheptane

Synonyms

  • 2-Methylheptane
  • EINECS 209-747-9
  • NSC 24844
  • UNII-YU6SU8CCVB

Systematic Names

  • 2-Methylheptane
  • Heptane, 2-methyl-

Registry Numbers

CAS Registry Number

  • 592-27-8

FDA UNII

  • YU6SU8CCVB

System Generated Number

  • 0000592278

Structure Descriptors

InChI

1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3

InChIKey

JVSWJIKNEAIKJW-UHFFFAOYSA-N

Smiles

C(CCCC)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.09E+02 deg C   EXP
Boiling Point 117.6 deg C   EXP
log P (octanol-water) 4.200 (none)   EST
Water Solubility 7.970 mg/L 25 EST
Vapor Pressure 20.7 mm Hg 25 EXP
Henry's Law Constant 3.010 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.28E-12 cm3/molecule-sec 25 EST

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