ChemSpider 2D Image | 2-[(2,6-Diisopropylphenyl)amino]ethyl 4-[(methylsulfonyl)methyl]benzoate | C23H31NO4S

2-[(2,6-Diisopropylphenyl)amino]ethyl 4-[(methylsulfonyl)methyl]benzoate

  • Molecular FormulaC23H31NO4S
  • Average mass417.561 Da
  • Monoisotopic mass417.197388 Da
  • ChemSpider ID30400657

More details:

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

2-[(2,6-Diisopropylphenyl)amino]ethyl 4-[(methylsulfonyl)methyl]benzoate [ACD/IUPAC Name]
2-[(2,6-Diisopropylphenyl)amino]ethyl-4-[(methylsulfonyl)methyl]benzoat [German] [ACD/IUPAC Name]
4-[(Méthylsulfonyl)méthyl]benzoate de 2-[(2,6-diisopropylphényl)amino]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(methylsulfonyl)methyl]-, 2-[[2,6-bis(1-methylethyl)phenyl]amino]ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.7±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 896.75
ACD/KOC (pH 5.5): 4505.83
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 906.48
ACD/KOC (pH 7.4): 4554.70
Polar Surface Area: 81 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

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