ChemSpider 2D Image | 3-(3-Thienyl)-1-butanol | C8H12OS

3-(3-Thienyl)-1-butanol

  • Molecular FormulaC8H12OS
  • Average mass156.245 Da
  • Monoisotopic mass156.060883 Da
  • ChemSpider ID58186900

More details:






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

3-(3-Thienyl)-1-butanol [German] [ACD/IUPAC Name]
3-(3-Thienyl)-1-butanol [ACD/IUPAC Name]
3-(3-Thiényl)-1-butanol [French] [ACD/IUPAC Name]
3-Thiophenepropanol, γ-methyl- [ACD/Index Name]
3-(thiophen-3-yl)butan-1-ol
65121-30-4 [RN]
MFCD29047359

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

Density: 1.1±0.1 g/cm3
Boiling Point: 256.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 108.7±20.4 °C
Index of Refraction: 1.542
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.86
ACD/KOC (pH 5.5): 337.09
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.86
ACD/KOC (pH 7.4): 337.09
Polar Surface Area: 48 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 143.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement