ChemSpider 2D Image | (3,3-~2~H_2_)Pentanoic acid | C5H8D2O2

(3,3-2H2)Pentanoic acid

  • Molecular FormulaC5H8D2O2
  • Average mass104.144 Da
  • Monoisotopic mass104.080635 Da
  • ChemSpider ID24533422

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3-2H2)Pentanoic acid [ACD/IUPAC Name]
(3,3-2H2)Pentansäure [German] [ACD/IUPAC Name]
Acide (3,3-2H2)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic-3,3-d2 acid [ACD/Index Name]
83741-74-6 [RN]
Butane Carboxylic Acid
Pentanoic-3,3-d2 Acid
Pentanoic-3,3-d2 acid(9CI)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 185.3±3.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 88.9±0.0 °C
Index of Refraction: 1.421
Molar Refractivity: 26.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.62
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 105.7±3.0 cm3

Click to predict properties on the Chemicalize site


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