ChemSpider 2D Image | 3-(Pentyloxy)-1,2-propanediyl dinitrate | C8H16N2O7

3-(Pentyloxy)-1,2-propanediyl dinitrate

  • Molecular FormulaC8H16N2O7
  • Average mass252.222 Da
  • Monoisotopic mass252.095749 Da
  • ChemSpider ID57493536

More details:

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

1,2-Propanediol, 3-(pentyloxy)-, dinitrate [ACD/Index Name]
3-(Pentyloxy)-1,2-propandiyldinitrat [German] [ACD/IUPAC Name]
3-(Pentyloxy)-1,2-propanediyl dinitrate [ACD/IUPAC Name]
Dinitrate de 3-(pentyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
1-[2,3-BIS(NITROOXY)PROPOXY]PENTANE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 315.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 125.6±27.1 °C
Index of Refraction: 1.460
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.30
ACD/KOC (pH 5.5): 3073.89
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.30
ACD/KOC (pH 7.4): 3073.89
Polar Surface Area: 119 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 205.6±3.0 cm3

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