ChemSpider 2D Image | (1E)-(1-~2~H_1_)-1-Butene | C4H7D

(1E)-(1-2H1)-1-Butene

  • Molecular FormulaC4H7D
  • Average mass57.112 Da
  • Monoisotopic mass57.068878 Da
  • ChemSpider ID18517194
  • Non-standard isotope - Non-standard isotope


More details:






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

(1E)-(1-2H1)-1-Buten [German] [ACD/IUPAC Name]
(1E)-(1-2H1)-1-Butene [ACD/IUPAC Name]
(1E)-(1-2H1)-1-Butène [French] [ACD/IUPAC Name]
1-Butene-1-d, (1E)- [ACD/Index Name]

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

Density: 0.6±0.1 g/cm3
Boiling Point: -6.0±3.0 °C at 760 mmHg
Vapour Pressure: 2213.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 22.1±0.0 kJ/mol
Flash Point: -49.6±9.0 °C
Index of Refraction: 1.371
Molar Refractivity: 20.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.84
ACD/KOC (pH 5.5): 477.76
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.84
ACD/KOC (pH 7.4): 477.76
Polar Surface Area: 0 Å2
Polarizability: 8.1±0.5 10-24cm3
Surface Tension: 16.4±3.0 dyne/cm
Molar Volume: 89.7±3.0 cm3

Click to predict properties on the Chemicalize site






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