ChemSpider 2D Image | 7-(4-Octyltetrahydro-3-thiophenyl)heptanoic acid | C19H36O2S

7-(4-Octyltetrahydro-3-thiophenyl)heptanoic acid

  • Molecular FormulaC19H36O2S
  • Average mass328.553 Da
  • Monoisotopic mass328.243591 Da
  • ChemSpider ID28678185

More details:

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

3-Thiopheneheptanoic acid, tetrahydro-4-octyl- [ACD/Index Name]
7-(4-Octyltetrahydro-3-thiophenyl)heptanoic acid [ACD/IUPAC Name]
7-(4-Octyltetrahydro-3-thiophenyl)heptansäure [German] [ACD/IUPAC Name]
Acide 7-(4-octyltétrahydro-3-thiophényl)heptanoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.5±21.2 °C
Index of Refraction: 1.488
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 42488.14
ACD/KOC (pH 5.5): 42421.77
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 681.25
ACD/KOC (pH 7.4): 680.18
Polar Surface Area: 63 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 339.5±3.0 cm3

Click to predict properties on the Chemicalize site


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