ChemSpider 2D Image | 3-(Nitromethyl)oxetane | C4H7NO3

3-(Nitromethyl)oxetane

  • Molecular FormulaC4H7NO3
  • Average mass117.103 Da
  • Monoisotopic mass117.042595 Da
  • ChemSpider ID26232099

More details:

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

1313739-08-0 [RN]
3-(Nitromethyl)oxetan [German] [ACD/IUPAC Name]
3-(Nitromethyl)oxetane [ACD/IUPAC Name]
3-(Nitrométhyl)oxétane [French] [ACD/IUPAC Name]
MFCD12547196 [MDL number]
Oxetane, 3-(nitromethyl)- [ACD/Index Name]
[1313739-08-0] [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: 217.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.4±3.0 kJ/mol
Flash Point: 123.1±21.8 °C
Index of Refraction: 1.458
Molar Refractivity: 26.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.03
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.59
Polar Surface Area: 55 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 95.9±3.0 cm3

Click to predict properties on the Chemicalize site


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