ChemSpider 2D Image | (4S)-4-Chloropentanoic acid | C5H9ClO2

(4S)-4-Chloropentanoic acid

  • Molecular FormulaC5H9ClO2
  • Average mass136.577 Da
  • Monoisotopic mass136.029114 Da
  • ChemSpider ID32990702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Chloropentanoic acid [ACD/IUPAC Name]
(4S)-4-Chlorpentansäure [German] [ACD/IUPAC Name]
Acide (4S)-4-chloropentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-chloro-, (4S)- [ACD/Index Name]
1315055-11-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 238.3±23.0 °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: 97.9±22.6 °C
Index of Refraction: 1.450
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.13
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 117.5±3.0 cm3

Click to predict properties on the Chemicalize site


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