ChemSpider 2D Image | 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-(2-thienyl)butanoate | C18H26O2S

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-(2-thienyl)butanoate

  • Molecular FormulaC18H26O2S
  • Average mass306.463 Da
  • Monoisotopic mass306.165344 Da
  • ChemSpider ID35891448

More details:

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

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-(2-thienyl)butanoate [ACD/IUPAC Name]
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-4-(2-thienyl)butanoat [German] [ACD/IUPAC Name]
2-Thiophenebutanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
4-(2-Thiényl)butanoate de 1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 387.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.3±23.2 °C
Index of Refraction: 1.544
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4176.28
ACD/KOC (pH 5.5): 13594.23
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4176.28
ACD/KOC (pH 7.4): 13594.23
Polar Surface Area: 55 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 277.1±5.0 cm3

Click to predict properties on the Chemicalize site


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