ChemSpider 2D Image | MFCD00190396 | C4H5D3O2

MFCD00190396

  • Molecular FormulaC4H5D3O2
  • Average mass91.124 Da
  • Monoisotopic mass91.071259 Da
  • ChemSpider ID24532291

  • Non-standard isotope - Non-standard isotope

More details:

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

(4,4,4-2H3)Butanoic acid [ACD/IUPAC Name]
(4,4,4-2H3)Butansäure [German] [ACD/IUPAC Name]
36789-14-7 [RN]
Acide (4,4,4-2H3)butanoïque [French] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid [ACD/Index Name]
Butanoic-4,4,4-d3 acid
BUTYRIC ACID-4,4,4-D3
MFCD00190396
Butanoic acid [ACD/Index Name]
Butyric-4,4,4-d3 Acid

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

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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