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Search term: VORSGHRRRHCPDN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2,2-Dimethyl-1-nitropropane | C5H11NO2

2,2-Dimethyl-1-nitropropane

  • Molecular FormulaC5H11NO2
  • Average mass117.146 Da
  • Monoisotopic mass117.078979 Da
  • ChemSpider ID21408230

More details:






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

2,2-Dimethyl-1-nitropropan [German] [ACD/IUPAC Name]
2,2-Dimethyl-1-nitropropane [ACD/IUPAC Name]
2,2-Diméthyl-1-nitropropane [French] [ACD/IUPAC Name]
Propane, 2,2-dimethyl-1-nitro- [ACD/Index Name]
1-nitro-2,2-dimethylpropane
34715-98-5 [RN]
MFCD00053438
Nitroneopentane

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

Density: 0.9±0.1 g/cm3
Boiling Point: 150.0±9.0 °C at 760 mmHg
Vapour Pressure: 3.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.7±3.0 kJ/mol
Flash Point: 38.6±11.5 °C
Index of Refraction: 1.418
Molar Refractivity: 31.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.16
ACD/KOC (pH 5.5): 182.99
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.86
ACD/KOC (pH 7.4): 177.51
Polar Surface Area: 46 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 123.9±3.0 cm3

Click to predict properties on the Chemicalize site






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