ChemSpider 2D Image | (3S)-2,2,3-Trimethylpentanoic acid | C8H16O2

(3S)-2,2,3-Trimethylpentanoic acid

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID32993120

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2,2,3-Trimethylpentanoic acid [ACD/IUPAC Name]
(3S)-2,2,3-Trimethylpentansäure [German] [ACD/IUPAC Name]
Acide (3S)-2,2,3-triméthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2,2,3-trimethyl-, (3S)- [ACD/Index Name]
1315050-81-7 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 223.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.7±6.0 kJ/mol
Flash Point: 99.4±9.8 °C
Index of Refraction: 1.435
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 88.63
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 37 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 30.1±3.0 dyne/cm
Molar Volume: 155.6±3.0 cm3

Click to predict properties on the Chemicalize site


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