ChemSpider 2D Image | 2-Methyl-7-[5-methyl-3-(3-phenylpropyl)-2-thienyl]heptanoic acid | C22H30O2S

2-Methyl-7-[5-methyl-3-(3-phenylpropyl)-2-thienyl]heptanoic acid

  • Molecular FormulaC22H30O2S
  • Average mass358.537 Da
  • Monoisotopic mass358.196655 Da
  • ChemSpider ID23193275

More details:

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

2-Methyl-7-[5-methyl-3-(3-phenylpropyl)-2-thienyl]heptanoic acid [ACD/IUPAC Name]
2-Methyl-7-[5-methyl-3-(3-phenylpropyl)-2-thienyl]heptansäure [German] [ACD/IUPAC Name]
2-methyl-7-[5-methyl-3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
2-Thiopheneheptanoic acid, α,5-dimethyl-3-(3-phenylpropyl)- [ACD/Index Name]
Acide 2-méthyl-7-[5-méthyl-3-(3-phénylpropyl)-2-thiényl]heptanoïque [French] [ACD/IUPAC Name]
2-Methyl-7-[5-methyl-3-(3-phenyl-propyl)-thiophen-2-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: 499.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.2±25.4 °C
Index of Refraction: 1.558
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 12072.47
ACD/KOC (pH 5.5): 17549.98
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 194.98
ACD/KOC (pH 7.4): 283.44
Polar Surface Area: 66 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

Click to predict properties on the Chemicalize site


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