ChemSpider 2D Image | 8-Methyl 1-phenyl 2-[2-methyl-1-(phenylsulfonyl)propyl]octanedioate | C25H32O6S

8-Methyl 1-phenyl 2-[2-methyl-1-(phenylsulfonyl)propyl]octanedioate

  • Molecular FormulaC25H32O6S
  • Average mass460.583 Da
  • Monoisotopic mass460.191956 Da
  • ChemSpider ID26504057

More details:

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

2-[2-Méthyl-1-(phénylsulfonyl)propyl]octanedioate de 8-méthyle et de 1-phényle [French] [ACD/IUPAC Name]
8-Methyl 1-phenyl 2-[2-methyl-1-(phenylsulfonyl)propyl]octanedioate [ACD/IUPAC Name]
8-Methyl-1-phenyl-2-[2-methyl-1-(phenylsulfonyl)propyl]octandioat [German] [ACD/IUPAC Name]
Octanedioic acid, 2-[2-methyl-1-(phenylsulfonyl)propyl]-, 8-methyl 1-phenyl ester [ACD/Index Name]
112375-49-2 [RN]
Octanedioic acid,2-[2-methyl-1-(phenylsulfonyl)propyl]-, 8-methyl 1-phenyl ester, (R*,R*)- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1497.57
ACD/KOC (pH 5.5): 6524.41
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1497.57
ACD/KOC (pH 7.4): 6524.41
Polar Surface Area: 95 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 399.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement