ChemSpider 2D Image | MFCD15144875 | C14H18O5S

MFCD15144875

  • Molecular FormulaC14H18O5S
  • Average mass298.355 Da
  • Monoisotopic mass298.087494 Da
  • ChemSpider ID35803754

More details:

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

1093348-62-9 [RN]
5-[(4-Méthylphényl)sulfonyl]-3-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester
Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate [ACD/IUPAC Name]
Ethyl-5-[(4-methylphenyl)sulfonyl]-3-oxopentanoat [German] [ACD/IUPAC Name]
MFCD15144875
Pentanoic acid, 5-[(4-methylphenyl)sulfonyl]-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-(4-methylbenzene-1-sulfonyl)-3-oxopentanoate
ETHYL 5-(4-METHYLBENZENESULFONYL)-3-OXOPENTANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 463.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.4±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.56
ACD/KOC (pH 5.5): 200.72
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.54
ACD/KOC (pH 7.4): 200.37
Polar Surface Area: 86 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 247.1±3.0 cm3

Click to predict properties on the Chemicalize site


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