ChemSpider 2D Image | (2E)-2-Butene-1,4-diyl bis(4-sulfamoylbenzoate) | C18H18N2O8S2

(2E)-2-Butene-1,4-diyl bis(4-sulfamoylbenzoate)

  • Molecular FormulaC18H18N2O8S2
  • Average mass454.474 Da
  • Monoisotopic mass454.050446 Da
  • ChemSpider ID23264189

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Buten-1,4-diyl-bis(4-sulfamoylbenzoat) [German] [ACD/IUPAC Name]
(2E)-2-Butene-1,4-diyl bis(4-sulfamoylbenzoate) [ACD/IUPAC Name]
(2E)-but-2-ene-1,4-diyl bis(4-sulfamoylbenzoate)
Benzoic acid, 4-(aminosulfonyl)-, (2E)-2-butene-1,4-diyl ester [ACD/Index Name]
Bis(4-sulfamoylbenzoate) de (2E)-2-butène-1,4-diyle [French] [ACD/IUPAC Name]
(2E)-but-2-en-1,4-diyl-bis[(aminosulfonyl)benzoate]
CHEMBL199828

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±35.7 °C
Index of Refraction: 1.610
Molar Refractivity: 107.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.46
ACD/KOC (pH 5.5): 160.53
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.38
ACD/KOC (pH 7.4): 158.97
Polar Surface Area: 190 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site


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