ChemSpider 2D Image | 4-Hydroxy(~2~H_8_)butyl nitrate | C4HD8NO4

4-Hydroxy(2H8)butyl nitrate

  • Molecular FormulaC4HD8NO4
  • Average mass143.168 Da
  • Monoisotopic mass143.103378 Da
  • ChemSpider ID94269873

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4-Butane-d8-diol, mononitrate [ACD/Index Name]
4-Hydroxy(2H8)butyl nitrate [ACD/IUPAC Name]
4-Hydroxy(2H8)butylnitrat [German] [ACD/IUPAC Name]
Nitrate de 4-hydroxy(2H8)butyle [French] [ACD/IUPAC Name]
1,4-butanediol D8 mononitrate
1261398-94-0 [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: 216.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.6±6.0 kJ/mol
Flash Point: 84.5±22.6 °C
Index of Refraction: 1.450
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 76.54
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.01
ACD/KOC (pH 7.4): 76.54
Polar Surface Area: 75 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 111.2±3.0 cm3

Click to predict properties on the Chemicalize site


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