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Search term: MF = 'C_{11}H_{12}O_{5}S'
ChemSpider 2D Image | 4-Oxo-5-(phenylsulfonyl)pentanoic acid | C11H12O5S

4-Oxo-5-(phenylsulfonyl)pentanoic acid

  • Molecular FormulaC11H12O5S
  • Average mass256.275 Da
  • Monoisotopic mass256.040558 Da
  • ChemSpider ID21412286

More details:

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

4-Oxo-5-(phenylsulfonyl)pentanoic acid [ACD/IUPAC Name]
4-Oxo-5-(phenylsulfonyl)pentansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-5-(phénylsulfonyl)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-oxo-5-(phenylsulfonyl)- [ACD/Index Name]
113815-00-2 [RN]
5-(Benzenesulfonyl)-4-oxopentanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 515.6±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 265.6±29.0 °C
Index of Refraction: 1.553
Molar Refractivity: 60.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

Click to predict properties on the Chemicalize site


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