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Substance Name: Pentane,3,3-dimethyl-
RN: 562-49-2
UNII: R1RH0VBD2L
InChIKey: AEXMKKGTQYQZCS-UHFFFAOYSA-N

Molecular Formula

  • C7-H16

Molecular Weight

  • 100.203
 
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Names and Synonyms

Name of Substance

  • Pentane,3,3-dimethyl-

Synonyms

  • 3,3-Dimethylpentane
  • EINECS 209-230-8
  • NSC 74150
  • UNII-R1RH0VBD2L

Systematic Names

  • 3,3-Dimethylpentane
  • Pentane, 3,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 562-49-2

FDA UNII

  • R1RH0VBD2L

System Generated Number

  • 0000562492

Structure Descriptors

InChI

1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3

InChIKey

AEXMKKGTQYQZCS-UHFFFAOYSA-N

Smiles

C(CC)(CC)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.35E+02 deg C   EXP
Boiling Point 86 deg C   EXP
log P (octanol-water) 3.670 (none)   EST
Water Solubility 5.92 mg/L 25 EXP
Vapor Pressure 82.7 mm Hg 25 EXP
Henry's Law Constant 1.840 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.97E-12 cm3/molecule-sec 25 EST

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