ChemSpider 2D Image | 4-Chloro-3-methyl-1,2-butadiene | C5H7Cl

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

  • Molecular FormulaC5H7Cl
  • Average mass102.562 Da
  • Monoisotopic mass102.023628 Da
  • ChemSpider ID32995437

More details:

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

1,2-Butadiene, 4-chloro-3-methyl- [ACD/Index Name]
4-Chlor-3-methyl-1,2-butadien [German] [ACD/IUPAC Name]
4-Chloro-3-methyl-1,2-butadiene [ACD/IUPAC Name]
4-Chloro-3-méthyl-1,2-butadiène [French] [ACD/IUPAC Name]
4-Chloro-3-methylbuta-1,2-diene
76397-24-5 [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: 118.2±10.0 °C at 760 mmHg
Vapour Pressure: 20.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.2±3.0 kJ/mol
Flash Point: 18.1±6.5 °C
Index of Refraction: 1.424
Molar Refractivity: 29.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.11
ACD/KOC (pH 5.5): 514.79
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.11
ACD/KOC (pH 7.4): 514.79
Polar Surface Area: 0 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 11.4±3.0 dyne/cm
Molar Volume: 116.0±3.0 cm3

Click to predict properties on the Chemicalize site


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