ChemSpider 2D Image | 1-(3-Thienyl)-1,3-propanediol | C7H10O2S

1-(3-Thienyl)-1,3-propanediol

  • Molecular FormulaC7H10O2S
  • Average mass158.218 Da
  • Monoisotopic mass158.040146 Da
  • ChemSpider ID29302758

More details:

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

1-(3-Thienyl)-1,3-propandiol [German] [ACD/IUPAC Name]
1-(3-Thienyl)-1,3-propanediol [ACD/IUPAC Name]
1-(3-Thiényl)-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 1-(3-thienyl)- [ACD/Index Name]
1-(thiophen-3-yl)propane-1,3-diol
862188-39-4 [RN]
MFCD24385099

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

Density: 1.3±0.1 g/cm3
Boiling Point: 325.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 150.7±23.7 °C
Index of Refraction: 1.591
Molar Refractivity: 41.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.21
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.21
Polar Surface Area: 69 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 124.0±3.0 cm3

Click to predict properties on the Chemicalize site


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