ChemSpider 2D Image | (S)-2,2,3-trimethylpentane | C8H18

(S)-2,2,3-trimethylpentane

  • Molecular FormulaC8H18
  • Average mass114.229 Da
  • Monoisotopic mass114.140854 Da
  • ChemSpider ID18527728

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-2,2,3-Trimethylpentan [German] [ACD/IUPAC Name]
(3S)-2,2,3-Trimethylpentane [ACD/IUPAC Name]
(3S)-2,2,3-Triméthylpentane [French] [ACD/IUPAC Name]
(S)-2,2,3-trimethylpentane
40824-48-4 [RN]
PENTANE, 2,2,3-TRIMETHYL-, (3S)- [ACD/Index Name]
2,2,3-TRIMETHYLPENTANE, (S)-

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F6U9W1Z7WN [DBID]
UNII:F6U9W1Z7WN [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.7±0.1 g/cm3
Boiling Point: 110.1±7.0 °C at 760 mmHg
Vapour Pressure: 28.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.9±0.0 kJ/mol
Flash Point: 8.7±11.7 °C
Index of Refraction: 1.400
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 635.90
ACD/KOC (pH 5.5): 3534.02
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 635.90
ACD/KOC (pH 7.4): 3534.02
Polar Surface Area: 0 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 20.6±3.0 dyne/cm
Molar Volume: 161.0±3.0 cm3

Click to predict properties on the Chemicalize site


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