ChemSpider 2D Image | 1-Chloro-3-methyl-1,2-butadiene | C5H7Cl

1-Chloro-3-methyl-1,2-butadiene

  • Molecular FormulaC5H7Cl
  • Average mass102.562 Da
  • Monoisotopic mass102.023628 Da
  • ChemSpider ID61152504

More details:

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

1,2-Butadiene, 1-chloro-3-methyl- [ACD/Index Name]
1-Chlor-3-methyl-1,2-butadien [German] [ACD/IUPAC Name]
1-Chloro-3-methyl-1,2-butadiene [ACD/IUPAC Name]
1-Chloro-3-méthyl-1,2-butadiène [French] [ACD/IUPAC Name]
27822-67-9 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 104.2±7.0 °C at 760 mmHg
Vapour Pressure: 36.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.9±3.0 kJ/mol
Flash Point: 12.8±13.6 °C
Index of Refraction: 1.436
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.45
ACD/KOC (pH 5.5): 534.68
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.45
ACD/KOC (pH 7.4): 534.68
Polar Surface Area: 0 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 11.6±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site


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