Found 1 result

Search term: InChI=1S/C6H13NO3/c1-5(6(2,3)4)10-7(8)9/h5H,1-4H3 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3,3-Dimethyl-2-butanyl nitrate | C6H13NO3

3,3-Dimethyl-2-butanyl nitrate

  • Molecular FormulaC6H13NO3
  • Average mass147.172 Da
  • Monoisotopic mass147.089539 Da
  • ChemSpider ID30770466

More details:

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

2-Butanol, 3,3-dimethyl-, nitrate [ACD/Index Name]
3,3-Dimethyl-2-butanyl nitrate [ACD/IUPAC Name]
3,3-Dimethyl-2-butanylnitrat [German] [ACD/IUPAC Name]
Nitrate de 3,3-diméthyl-2-butanyle [French] [ACD/IUPAC Name]
(3,3-dimethylbutan-2-yl) nitrate
1,2,2-trimethylpropyl nitrate
114840-50-5 [RN]
2,2-Dimethyl-3-butyl nitrate
3,3-dimethylbutan-2-yl nitrate
MFCD28014262

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

Density: 1.0±0.1 g/cm3
Boiling Point: 160.2±9.0 °C at 760 mmHg
Vapour Pressure: 3.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.1±3.0 kJ/mol
Flash Point: 48.7±20.7 °C
Index of Refraction: 1.424
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.77
ACD/KOC (pH 5.5): 814.02
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.77
ACD/KOC (pH 7.4): 814.02
Polar Surface Area: 55 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 147.1±3.0 cm3

Click to predict properties on the Chemicalize site


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