ChemSpider 2D Image | 3-Oxetanylideneacetonitrile | C5H5NO

3-Oxetanylideneacetonitrile

  • Molecular FormulaC5H5NO
  • Average mass95.099 Da
  • Monoisotopic mass95.037117 Da
  • ChemSpider ID23499676

More details:






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

1123787-67-6 [RN]
2-(3-Oxetanylidene)acetonitrile
3-Oxetanylidenacetonitril [German] [ACD/IUPAC Name]
3-Oxetanylideneacetonitrile [ACD/IUPAC Name]
3-Oxétanylidèneacétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-(3-oxetanylidene)- [ACD/Index Name]
MFCD14586415 [MDL number]
Oxetan-3-ylideneacetonitrile
(Oxetan-3-ylidene)acetonitrile
[1123787-67-6]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 216.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 88.4±19.3 °C
Index of Refraction: 1.642
Molar Refractivity: 26.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.52
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.52
Polar Surface Area: 33 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 72.6±3.0 cm3

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