ChemSpider 2D Image | 1-(Phenylsulfonyl)cyclohexanecarboxylic acid | C13H16O4S

1-(Phenylsulfonyl)cyclohexanecarboxylic acid

  • Molecular FormulaC13H16O4S
  • Average mass268.329 Da
  • Monoisotopic mass268.076935 Da
  • ChemSpider ID35786455

More details:

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

1-(Phenylsulfonyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
1-(Phenylsulfonyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
74254-66-3 [RN]
Acide 1-(phénylsulfonyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)- [ACD/Index Name]
1-(Benzenesulfonyl)cyclohexane-1-carboxylic acid
MFCD12074408

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.3±26.5 °C
Index of Refraction: 1.576
Molar Refractivity: 67.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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