ChemSpider 2D Image | 3-Hydroxy-4-nitrobenzyl pivalate | C12H15NO5

3-Hydroxy-4-nitrobenzyl pivalate

  • Molecular FormulaC12H15NO5
  • Average mass253.251 Da
  • Monoisotopic mass253.095016 Da
  • ChemSpider ID28535324

More details:






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

3-Hydroxy-4-nitrobenzyl pivalate [ACD/IUPAC Name]
3-Hydroxy-4-nitrobenzylpivalat [German] [ACD/IUPAC Name]
Pivalate de 3-hydroxy-4-nitrobenzyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (3-hydroxy-4-nitrophenyl)methyl ester [ACD/Index Name]
(3-Hydroxy-4-nitrophenyl)methyl 2,2-dimethylpropanoate
[929095-34-1]
3-Hydroxy-4-nitrobenzylpivalate
929095-34-1 [RN]
CS-14297
MFCD18642696 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 355.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 168.6±23.7 °C
Index of Refraction: 1.551
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 108.51
ACD/KOC (pH 5.5): 978.07
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 17.94
ACD/KOC (pH 7.4): 161.71
Polar Surface Area: 92 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 202.1±3.0 cm3

Click to predict properties on the Chemicalize site






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