ChemSpider 2D Image | Methyl 2-[(5-hydroxypentyl)sulfonyl]benzoate | C13H18O5S

Methyl 2-[(5-hydroxypentyl)sulfonyl]benzoate

  • Molecular FormulaC13H18O5S
  • Average mass286.344 Da
  • Monoisotopic mass286.087494 Da
  • ChemSpider ID30159631

More details:

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

2-[(5-Hydroxypentyl)sulfonyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(5-hydroxypentyl)sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 2-[(5-hydroxypentyl)sulfonyl]benzoate [ACD/IUPAC Name]
Methyl-2-[(5-hydroxypentyl)sulfonyl]benzoat [German] [ACD/IUPAC 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: 489.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.9±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 83.60
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 83.60
Polar Surface Area: 89 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 232.6±3.0 cm3

Click to predict properties on the Chemicalize site


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