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Substance Name: 2,3,4-Trimethylpentane
RN: 565-75-3
UNII: WOJ1QVR6OA
InChIKey: RLPGDEORIPLBNF-UHFFFAOYSA-N

Molecular Formula

  • C8-H18

Molecular Weight

  • 114.23
 
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Names and Synonyms

Name of Substance

  • 2,3,4-Trimethylpentane

Synonyms

  • 2,3,4-Trimethylpentane
  • 4-01-00-00446 (Beilstein Handbook Reference)
  • BRN 1696869
  • EINECS 209-292-6
  • NSC 24846
  • UNII-WOJ1QVR6OA

Systematic Names

  • 2,3,4-Trimethylpentane
  • Pentane, 2,3,4-trimethyl-

Registry Numbers

CAS Registry Number

  • 565-75-3

FDA UNII

  • WOJ1QVR6OA

System Generated Number

  • 0000565753

Structure Descriptors

InChI

1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

InChIKey

RLPGDEORIPLBNF-UHFFFAOYSA-N

Smiles

C(C(C)C)(C(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.09E+02 deg C   EXP
Boiling Point 113.5 deg C   EXP
log P (octanol-water) 4.050 (none)   EST
Water Solubility 2.3 mg/L 25 EXP
Vapor Pressure 27.1 mm Hg 25 EXP
Henry's Law Constant 1.770 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.99E-12 cm3/molecule-sec 25 EXP

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