ChemSpider 2D Image | 7-[5-(3-Phenylpropyl)-3-thienyl]heptanoic acid | C20H26O2S

7-[5-(3-Phenylpropyl)-3-thienyl]heptanoic acid

  • Molecular FormulaC20H26O2S
  • Average mass330.484 Da
  • Monoisotopic mass330.165344 Da
  • ChemSpider ID23193235

More details:

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

3-Thiopheneheptanoic acid, 5-(3-phenylpropyl)- [ACD/Index Name]
7-[5-(3-Phenylpropyl)-3-thienyl]heptanoic acid [ACD/IUPAC Name]
7-[5-(3-Phenylpropyl)-3-thienyl]heptansäure [German] [ACD/IUPAC Name]
7-[5-(3-phenylpropyl)thiophen-3-yl]heptanoic acid
Acide 7-[5-(3-phénylpropyl)-3-thiényl]heptanoïque [French] [ACD/IUPAC Name]
142422-48-8 [RN]
7-(5-(3-Phenylpropyl)thiophen-3-yl)heptanoic acid
7-[5-(3-Phenyl-propyl)-thiophen-3-yl]-heptanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 488.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 249.3±25.4 °C
Index of Refraction: 1.567
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 1755.71
ACD/KOC (pH 5.5): 4331.68
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 28.14
ACD/KOC (pH 7.4): 69.43
Polar Surface Area: 66 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 298.9±3.0 cm3

Click to predict properties on the Chemicalize site


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