ChemSpider 2D Image | (2E)-(1,1-~2~H_2_)-2-Buten-1-ol | C4H6D2O

(2E)-(1,1-2H2)-2-Buten-1-ol

  • Molecular FormulaC4H6D2O
  • Average mass74.118 Da
  • Monoisotopic mass74.070068 Da
  • ChemSpider ID26570410

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-(1,1-2H2)-2-Buten-1-ol [German] [ACD/IUPAC Name]
(2E)-(1,1-2H2)-2-Buten-1-ol [ACD/IUPAC Name]
(2E)-(1,1-2H2)-2-Butén-1-ol [French] [ACD/IUPAC Name]
2-Buten-1,1-d2-1-ol, (2E)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 123.6±8.0 °C at 760 mmHg
Vapour Pressure: 6.2±0.5 mmHg at 25°C
Enthalpy of Vaporization: 42.1±6.0 kJ/mol
Flash Point: 37.2±0.0 °C
Index of Refraction: 1.431
Molar Refractivity: 22.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.42
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.42
Polar Surface Area: 20 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 27.0±3.0 dyne/cm
Molar Volume: 85.7±3.0 cm3

Click to predict properties on the Chemicalize site


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