ChemSpider 2D Image | (2S)-1,2-Propanediyl dinitrate | C3H6N2O6

(2S)-1,2-Propanediyl dinitrate

  • Molecular FormulaC3H6N2O6
  • Average mass166.089 Da
  • Monoisotopic mass166.022583 Da
  • ChemSpider ID34984578

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2-Propandiyldinitrat [German] [ACD/IUPAC Name]
(2S)-1,2-Propanediyl dinitrate [ACD/IUPAC Name]
1,2-Propanediol, dinitrate, (2S)- [ACD/Index Name]
Dinitrate de (2S)-1,2-propanediyle [French] [ACD/IUPAC Name]
[(1S)-1-methyl-2-nitrooxy-ethyl] nitrate
[(2S)-1-nitrooxypropan-2-yl] nitrate
1,2-PROPANEDIOL, DINITRATE, (S)-
229-180-0 [EINECS]
6423-43-4 [RN]
nitric acid [(1S)-1-methyl-2-nitrooxyethyl] ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 206.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 98.5±21.8 °C
Index of Refraction: 1.451
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.55
ACD/KOC (pH 5.5): 248.14
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.55
ACD/KOC (pH 7.4): 248.14
Polar Surface Area: 110 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 116.7±3.0 cm3

Click to predict properties on the Chemicalize site


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