ChemSpider 2D Image | 2-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-heptyl-1,3-propanediol | C14H28O4S

2-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-heptyl-1,3-propanediol

  • Molecular FormulaC14H28O4S
  • Average mass292.435 Da
  • Monoisotopic mass292.170837 Da
  • ChemSpider ID52112394

More details:

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

1,3-Propanediol, 2-heptyl-2-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
2-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-heptyl-1,3-propandiol [German] [ACD/IUPAC Name]
2-(1,1-Dioxidotetrahydro-3-thiophenyl)-2-heptyl-1,3-propanediol [ACD/IUPAC Name]
2-(1,1-Dioxydotétrahydro-3-thiophényl)-2-heptyl-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 505.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 259.6±21.8 °C
Index of Refraction: 1.512
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.44
ACD/KOC (pH 5.5): 410.68
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.44
ACD/KOC (pH 7.4): 410.68
Polar Surface Area: 83 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

Click to predict properties on the Chemicalize site


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