ChemSpider 2D Image | (2,2,3,3-~2~H_4_)-4-Pentynoic acid | C5H2D4O2

(2,2,3,3-2H4)-4-Pentynoic acid

  • Molecular FormulaC5H2D4O2
  • Average mass102.125 Da
  • Monoisotopic mass102.061890 Da
  • ChemSpider ID58780007

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2,3,3-2H4)-4-Pentinsäure [German] [ACD/IUPAC Name]
(2,2,3,3-2H4)-4-Pentynoic acid [ACD/IUPAC Name]
4-Pentynoic-2,2,3,3-d4 acid [ACD/Index Name]
Acide (2,2,3,3-2H4)-4-pentynoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 199.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.0±6.0 kJ/mol
Flash Point: 90.8±17.3 °C
Index of Refraction: 1.462
Molar Refractivity: 24.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.25
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 89.5±3.0 cm3

Click to predict properties on the Chemicalize site


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