ChemSpider 2D Image | Ethyl (3R)-3-chlorobutanoate | C6H11ClO2

Ethyl (3R)-3-chlorobutanoate

  • Molecular FormulaC6H11ClO2
  • Average mass150.603 Da
  • Monoisotopic mass150.044754 Da
  • ChemSpider ID61597637

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Chlorobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-chloro-, ethyl ester, (3R)- [ACD/Index Name]
Ethyl (3R)-3-chlorobutanoate [ACD/IUPAC Name]
Ethyl-(3R)-3-chlorbutanoat [German] [ACD/IUPAC Name]
71776-80-2 [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: 167.7±13.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 60.9±15.3 °C
Index of Refraction: 1.424
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.20
ACD/KOC (pH 5.5): 232.48
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.20
ACD/KOC (pH 7.4): 232.48
Polar Surface Area: 26 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 142.8±3.0 cm3

Click to predict properties on the Chemicalize site


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