ChemSpider 2D Image | 2-Methyl-2-propanyl 4-oxooctahydro-2H-isoindole-2-carboxylate | C13H21NO3

2-Methyl-2-propanyl 4-oxooctahydro-2H-isoindole-2-carboxylate

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID24723479

More details:

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

2H-Isoindole-2-carboxylic acid, octahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-oxooctahydro-2H-isoindole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxooctahydro-2H-isoindol-2-carboxylat [German] [ACD/IUPAC Name]
4-Oxooctahydro-2H-isoindole-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-Oxo-octahydroisoindole-2-carboxylic acid tert-butyl ester
4-Oxo-octahydro-isoindole-2-carboxylic acid tert-butyl ester
879687-92-0 [RN]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-43799]
    • Safety:

      20/21/22 Novochemy [NC-43799]
      20/21/36/37/39 Novochemy [NC-43799]
      GHS07; GHS09 Novochemy [NC-43799]
      H332; H403 Novochemy [NC-43799]
      Harmful/Irritant SynQuest 4H56-1-302
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-43799]
      Warning Novochemy [NC-43799]
      Xn Novochemy [NC-43799]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.2±23.2 °C
Index of Refraction: 1.501
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 177.53
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.74
ACD/KOC (pH 7.4): 177.53
Polar Surface Area: 47 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

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