ChemSpider 2D Image | 1-Ethoxy-3-{[4-(methylsulfonyl)phenyl]sulfanyl}-2-propanol | C12H18O4S2

1-Ethoxy-3-{[4-(methylsulfonyl)phenyl]sulfanyl}-2-propanol

  • Molecular FormulaC12H18O4S2
  • Average mass290.399 Da
  • Monoisotopic mass290.064636 Da
  • ChemSpider ID44572176

More details:

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

1-Ethoxy-3-{[4-(methylsulfonyl)phenyl]sulfanyl}-2-propanol [German] [ACD/IUPAC Name]
1-Ethoxy-3-{[4-(methylsulfonyl)phenyl]sulfanyl}-2-propanol [ACD/IUPAC Name]
1-Éthoxy-3-{[4-(méthylsulfonyl)phényl]sulfanyl}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-ethoxy-3-[[4-(methylsulfonyl)phenyl]thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.1±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 120.79
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 120.79
Polar Surface Area: 97 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 226.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement