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Substance Name: 2,2,3-Trimethylpentane
RN: 564-02-3
UNII: 1P0B7R5K5T
InChIKey: XTDQDBVBDLYELW-UHFFFAOYSA-N

Molecular Formula

  • C8-H18

Molecular Weight

  • 114.23
 
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Names and Synonyms

Name of Substance

  • 2,2,3-Trimethylpentane

Synonyms

  • 2,2,3-Trimethylpentane
  • EINECS 209-266-4
  • NSC 73954
  • UNII-1P0B7R5K5T

Systematic Names

  • 2,2,3-Trimethylpentane
  • Pentane, 2,2,3-trimethyl-
  • Pentane, 2,2,3-trimethyl- (8CI)(9CI)

Superlist Names

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

Registry Numbers

CAS Registry Number

  • 564-02-3

FDA UNII

  • 1P0B7R5K5T

System Generated Number

  • 0000564023

Structure Descriptors

InChI

1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3

InChIKey

XTDQDBVBDLYELW-UHFFFAOYSA-N

Smiles

C([C@@H](CC)C)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.12E+02 deg C   EXP
Boiling Point 110 deg C   EXP
log P (octanol-water) 4.090 (none)   EST
Water Solubility 2.4 mg/L 25 EXP
Vapor Pressure 32.1 mm Hg 25 EXP
Henry's Law Constant 2.010 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.92E-12 cm3/molecule-sec 25 EST

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