ChemSpider 2D Image | (2-~2~H_1_)Butanoic acid | C4H7DO2

(2-2H1)Butanoic acid

  • Molecular FormulaC4H7DO2
  • Average mass89.111 Da
  • Monoisotopic mass89.058708 Da
  • ChemSpider ID73952089
  • Non-standard isotope - Non-standard isotope


More details:






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

(2-2H1)Butanoic acid [ACD/IUPAC Name]
(2-2H1)Butansäure [German] [ACD/IUPAC Name]
Acide (2-2H1)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2-d acid [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 164.3±3.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.4±3.0 kJ/mol
Flash Point: 76.7±0.0 °C
Index of Refraction: 1.411
Molar Refractivity: 22.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.79
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 89.2±3.0 cm3

Click to predict properties on the Chemicalize site






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