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Substance Name: 3-Ethyl-2,4-dimethylpentane
RN: 1068-87-7
UNII: ZGK90M81DG
InChIKey: VLHAGZNBWKUMRW-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Name of Substance

  • 3-Ethyl-2,4-dimethylpentane

Synonyms

  • 2,4-Dimethyl-3-ethylpentane
  • 3-Ethyl-2,4-dimethylpentane
  • EINECS 213-951-3
  • NSC 77450
  • UNII-ZGK90M81DG

Systematic Names

  • 3-Ethyl-2,4-dimethylpentane
  • Pentane, 3-ethyl-2,4-dimethyl- (8CI)(9CI)

Superlist Names

  • 2,4-Dimethyl-3-ethyl pentane
  • Pentane, 3-ethyl-2,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 1068-87-7

FDA UNII

  • ZGK90M81DG

System Generated Number

  • 0001068877

Structure Descriptors

InChI

1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3

InChIKey

VLHAGZNBWKUMRW-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.22E+02 deg C   EXP
Boiling Point 136.7 deg C   EXP
log P (octanol-water) 4.540 (none)   EST
Water Solubility 3.590 mg/L 25 EST
Vapor Pressure 10.1 mm Hg 25 EXP
Henry's Law Constant 4.000 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.04E-11 cm3/molecule-sec 25 EST

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