ChemSpider 2D Image | 2-{[(2-Propyl-6-hepten-1-yl)oxy]carbonyl}(~2~H_4_)benzoic acid | C18H20D4O4

2-{[(2-Propyl-6-hepten-1-yl)oxy]carbonyl}(2H4)benzoic acid

  • Molecular FormulaC18H20D4O4
  • Average mass308.405 Da
  • Monoisotopic mass308.192566 Da
  • ChemSpider ID107434060

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-d4-dicarboxylic acid, mono(2-propyl-6-hepten-1-yl) ester [ACD/Index Name]
2-{[(2-Propyl-6-hepten-1-yl)oxy]carbonyl}(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-{[(2-Propyl-6-hepten-1-yl)oxy]carbonyl}(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-{[(2-propyl-6-heptén-1-yl)oxy]carbonyl}(2H4)benzoïque [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: 450.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 156.7±20.3 °C
Index of Refraction: 1.520
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 52.27
ACD/KOC (pH 5.5): 150.29
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 5.18
ACD/KOC (pH 7.4): 14.89
Polar Surface Area: 64 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 283.9±3.0 cm3

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