ChemSpider 2D Image | Dimethyl 5-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)sulfamoyl]isophthalate | C20H27NO6S

Dimethyl 5-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)sulfamoyl]isophthalate

  • Molecular FormulaC20H27NO6S
  • Average mass409.496 Da
  • Monoisotopic mass409.155914 Da
  • ChemSpider ID21731852

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)amino]sulfonyl]-, dimethyl ester [ACD/Index Name]
5-[(1,7,7-Triméthylbicyclo[2.2.1]hept-2-yl)sulfamoyl]isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)sulfamoyl]isophthalate [ACD/IUPAC Name]
Dimethyl-5-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)sulfamoyl]isophthalat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.4±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2220.58
ACD/KOC (pH 5.5): 8649.61
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2219.64
ACD/KOC (pH 7.4): 8645.93
Polar Surface Area: 107 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

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