ChemSpider 2D Image | 4-Chlorobutyl nitrate | C4H8ClNO3

4-Chlorobutyl nitrate

  • Molecular FormulaC4H8ClNO3
  • Average mass153.564 Da
  • Monoisotopic mass153.019272 Da
  • ChemSpider ID21414350

More details:

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

1-Butanol, 4-chloro-, nitrate [ACD/Index Name]
4-Chlorbutylnitrat [German] [ACD/IUPAC Name]
4-Chlorobutyl nitrate [ACD/IUPAC Name]
Nitrate de 4-chlorobutyle [French] [ACD/IUPAC Name]
54894-20-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 199.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.8±3.0 kJ/mol
Flash Point: 74.6±22.6 °C
Index of Refraction: 1.444
Molar Refractivity: 33.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.30
ACD/KOC (pH 5.5): 499.23
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.30
ACD/KOC (pH 7.4): 499.23
Polar Surface Area: 55 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 125.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement