ChemSpider 2D Image | 4-(Isopropylsulfonyl)-2,5-dimethyl-3-furoic acid | C10H14O5S

4-(Isopropylsulfonyl)-2,5-dimethyl-3-furoic acid

  • Molecular FormulaC10H14O5S
  • Average mass246.280 Da
  • Monoisotopic mass246.056198 Da
  • ChemSpider ID61969039

More details:

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

3-Furancarboxylic acid, 2,5-dimethyl-4-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
4-(Isopropylsulfonyl)-2,5-dimethyl-3-furoesäure [German] [ACD/IUPAC Name]
4-(Isopropylsulfonyl)-2,5-dimethyl-3-furoic acid [ACD/IUPAC Name]
Acide 4-(isopropylsulfonyl)-2,5-diméthyl-3-furoïque [French] [ACD/IUPAC Name]
2,5-dimethyl-4-(propane-2-sulfonyl)furan-3-carboxylic acid
2060061-90-5 [RN]
MFCD30501157

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.7±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: 214.9±28.7 °C
Index of Refraction: 1.509
Molar Refractivity: 57.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.86
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 192.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement