ChemSpider 2D Image | [3-(Methylsulfanyl)-5-propyl-1-benzofuran-2-yl]acetic acid | C14H16O3S

[3-(Methylsulfanyl)-5-propyl-1-benzofuran-2-yl]acetic acid

  • Molecular FormulaC14H16O3S
  • Average mass264.340 Da
  • Monoisotopic mass264.082001 Da
  • ChemSpider ID24742095

More details:

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

[3-(Methylsulfanyl)-5-propyl-1-benzofuran-2-yl]acetic acid [ACD/IUPAC Name]
[3-(Methylsulfanyl)-5-propyl-1-benzofuran-2-yl]essigsäure [German] [ACD/IUPAC Name]
2-Benzofuranacetic acid, 3-(methylthio)-5-propyl- [ACD/Index Name]
Acide [3-(méthylsulfanyl)-5-propyl-1-benzofuran-2-yl]acétique [French] [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: 422.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 209.3±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.58
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 212.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement