ChemSpider 2D Image | (2S)-4-Cyclopropyl-2-methylbutanoic acid | C8H14O2

(2S)-4-Cyclopropyl-2-methylbutanoic acid

  • Molecular FormulaC8H14O2
  • Average mass142.196 Da
  • Monoisotopic mass142.099380 Da
  • ChemSpider ID71104003

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Cyclopropyl-2-methylbutanoic acid [ACD/IUPAC Name]
(2S)-4-Cyclopropyl-2-methylbutansäure [German] [ACD/IUPAC Name]
Acide (2S)-4-cyclopropyl-2-méthylbutanoïque [French] [ACD/IUPAC Name]
Cyclopropanebutanoic acid, α-methyl-, (αS)- [ACD/Index Name]
2248201-53-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 238.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.3±6.0 kJ/mol
Flash Point: 114.8±9.8 °C
Index of Refraction: 1.482
Molar Refractivity: 38.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.90
ACD/KOC (pH 5.5): 75.72
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 37 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 135.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement