ChemSpider 2D Image | (Pentylsulfonyl)acetic acid | C7H14O4S

(Pentylsulfonyl)acetic acid

  • Molecular FormulaC7H14O4S
  • Average mass194.249 Da
  • Monoisotopic mass194.061279 Da
  • ChemSpider ID14866509

More details:

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

(Pentylsulfonyl)acetic acid [ACD/IUPAC Name]
(Pentylsulfonyl)essigsäure [German] [ACD/IUPAC Name]
107375-91-7 [RN]
2-(pentane-1-sulfonyl)acetic acid
Acetic acid, 2-(pentylsulfonyl)- [ACD/Index Name]
Acide (pentylsulfonyl)acétique [French] [ACD/IUPAC Name]
(PENTANE-1-SULFONYL)ACETIC ACID
MFCD09940130 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 196.1±24.0 °C
Index of Refraction: 1.474
Molar Refractivity: 44.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 159.7±3.0 cm3

Click to predict properties on the Chemicalize site


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