ChemSpider 2D Image | (3E)-4-(3-Nitrophenyl)-3-(phenylsulfonyl)-3-buten-2-one | C16H13NO5S

(3E)-4-(3-Nitrophenyl)-3-(phenylsulfonyl)-3-buten-2-one

  • Molecular FormulaC16H13NO5S
  • Average mass331.343 Da
  • Monoisotopic mass331.051453 Da
  • ChemSpider ID21195233

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-(3-Nitrophenyl)-3-(phenylsulfonyl)-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-4-(3-Nitrophenyl)-3-(phenylsulfonyl)-3-buten-2-one [ACD/IUPAC Name]
(3E)-4-(3-Nitrophényl)-3-(phénylsulfonyl)-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 4-(3-nitrophenyl)-3-(phenylsulfonyl)-, (3E)- [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: 581.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.50
ACD/KOC (pH 5.5): 916.49
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.50
ACD/KOC (pH 7.4): 916.49
Polar Surface Area: 105 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 241.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement