ChemSpider 2D Image | (1S)-2-Methylcyclopropanecarboxylic acid | C5H8O2

(1S)-2-Methylcyclopropanecarboxylic acid

  • Molecular FormulaC5H8O2
  • Average mass100.116 Da
  • Monoisotopic mass100.052429 Da
  • ChemSpider ID114826583

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-2-Methylcyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S)-2-Methylcyclopropanecarboxylic acid [ACD/IUPAC Name]
26510-98-5 [RN]
Acide (1S)-2-méthylcyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-methyl-, (1S)- [ACD/Index Name]
Cyclopropanecarboxylic acid, 2-methyl-, (1S-cis)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 191.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.1±6.0 kJ/mol
Flash Point: 87.8±0.0 °C
Index of Refraction: 1.489
Molar Refractivity: 24.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.39
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 85.5±3.0 cm3

Click to predict properties on the Chemicalize site


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