ChemSpider 2D Image | 4-[(~2~H_7_)-2-Propanyl]benzoic acid | C10H5D7O2

4-[(2H7)-2-Propanyl]benzoic acid

  • Molecular FormulaC10H5D7O2
  • Average mass171.244 Da
  • Monoisotopic mass171.127670 Da
  • ChemSpider ID107433593
  • Non-standard isotope - Non-standard isotope


More details:






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

4-[(2H7)-2-Propanyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(2H7)-2-Propanyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2H7)-2-propanyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-(methyl-d3)ethyl-1,2,2,2-d4]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 271.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 128.1±16.2 °C
Index of Refraction: 1.535
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 9.91
ACD/KOC (pH 5.5): 83.37
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 37 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 152.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement