ChemSpider 2D Image | (3E,4R)-3-(1-Chloroethylidene)-1-[(4-methylphenyl)sulfonyl]-4-vinyl-2-pyrrolidinone | C15H16ClNO3S

(3E,4R)-3-(1-Chloroethylidene)-1-[(4-methylphenyl)sulfonyl]-4-vinyl-2-pyrrolidinone

  • Molecular FormulaC15H16ClNO3S
  • Average mass325.810 Da
  • Monoisotopic mass325.053955 Da
  • ChemSpider ID30651988

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3E,4R)-3-(1-Chlorethyliden)-1-[(4-methylphenyl)sulfonyl]-4-vinyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3E,4R)-3-(1-Chloroethylidene)-1-[(4-methylphenyl)sulfonyl]-4-vinyl-2-pyrrolidinone [ACD/IUPAC Name]
(3E,4R)-3-(1-Chloroéthylidène)-1-[(4-méthylphényl)sulfonyl]-4-vinyl-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 3-(1-chloroethylidene)-4-ethenyl-1-[(4-methylphenyl)sulfonyl]-, (3E,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 434.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.3±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.71
ACD/KOC (pH 5.5): 834.92
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.71
ACD/KOC (pH 7.4): 834.92
Polar Surface Area: 63 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 237.4±3.0 cm3

Click to predict properties on the Chemicalize site


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