ChemSpider 2D Image | 3-Propyl-1-benzothiophene-2-carboxylic acid | C12H12O2S

3-Propyl-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC12H12O2S
  • Average mass220.288 Da
  • Monoisotopic mass220.055801 Da
  • ChemSpider ID27005672

More details:

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

3-Propyl-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-Propyl-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-propyl-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-propyl- [ACD/Index Name]
1483985-83-6 [RN]
3-Propyl-benzo[b]thiophene-2-carboxylic acid
MFCD22025407
NS-02663

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

Density: 1.3±0.1 g/cm3
Boiling Point: 382.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 185.1±22.3 °C
Index of Refraction: 1.647
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 23.26
ACD/KOC (pH 5.5): 100.15
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 5.98
Polar Surface Area: 66 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 174.9±3.0 cm3

Click to predict properties on the Chemicalize site


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