ChemSpider 2D Image | 2-(sec-Butoxycarbonyl)(~2~H_4_)benzoic acid | C12H10D4O4

2-(sec-Butoxycarbonyl)(2H4)benzoic acid

  • Molecular FormulaC12H10D4O4
  • Average mass226.262 Da
  • Monoisotopic mass226.114319 Da
  • ChemSpider ID58785010

  • 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(1-methylpropyl) ester [ACD/Index Name]
2-(sec-Butoxycarbonyl)(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-(sec-Butoxycarbonyl)(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-(sec-butoxycarbonyl)(2H4)benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 356.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 135.0±16.7 °C
Index of Refraction: 1.532
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.53
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 189.8±3.0 cm3

Click to predict properties on the Chemicalize site


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