ChemSpider 2D Image | 5-Chloro-5-hexenoic acid | C6H9ClO2

5-Chloro-5-hexenoic acid

  • Molecular FormulaC6H9ClO2
  • Average mass148.587 Da
  • Monoisotopic mass148.029114 Da
  • ChemSpider ID21107943

More details:

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

5-Chlor-5-hexensäure [German] [ACD/IUPAC Name]
5-Chloro-5-hexenoic acid [ACD/IUPAC Name]
5-Chloro-hex-5-enoic acid
5-Hexenoic acid, 5-chloro- [ACD/Index Name]
731773-27-6 [RN]
Acide 5-chloro-5-hexénoïque [French] [ACD/IUPAC Name]
5-chlorohex-5-enoic acid
MFCD02259898 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 247.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.3±6.0 kJ/mol
Flash Point: 103.3±22.6 °C
Index of Refraction: 1.470
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 19.71
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 128.5±3.0 cm3

Click to predict properties on the Chemicalize site


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