ChemSpider 2D Image | 3-Acetoxy-2-(acetoxymethyl)-2-[(nitrooxy)methyl]propyl acetate | C11H17NO9

3-Acetoxy-2-(acetoxymethyl)-2-[(nitrooxy)methyl]propyl acetate

  • Molecular FormulaC11H17NO9
  • Average mass307.254 Da
  • Monoisotopic mass307.090332 Da
  • ChemSpider ID26001402

More details:

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

1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, 1-acetate 3-nitrate [ACD/Index Name]
3-Acetoxy-2-(acetoxymethyl)-2-[(nitrooxy)methyl]propyl acetate [ACD/IUPAC Name]
3-Acetoxy-2-(acetoxymethyl)-2-[(nitrooxy)methyl]propyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-acétoxy-2-(acétoxyméthyl)-2-[(nitrooxy)méthyl]propyle [French] [ACD/IUPAC Name]
3-(acetyloxy)-2-[(acetyloxy)methyl]-2- [(nitrooxy)methyl]propyl acetate
3-(ACETYLOXY)-2-[(ACETYLOXY)METHYL]-2-[(NITROOXY)METHYL]PROPYL ACETATE
MFCD18914449

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

Density: 1.3±0.1 g/cm3
Boiling Point: 391.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 155.9±29.9 °C
Index of Refraction: 1.463
Molar Refractivity: 66.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.86
ACD/KOC (pH 5.5): 228.54
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.86
ACD/KOC (pH 7.4): 228.54
Polar Surface Area: 134 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 239.7±3.0 cm3

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