ChemSpider 2D Image | 4749 | C12H24O2

4749

  • Molecular FormulaC12H24O2
  • Average mass200.318 Da
  • Monoisotopic mass200.177628 Da
  • ChemSpider ID24607537

More details:






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

1Y1&3OV2Y1&1 [WLN]
35852-42-7 [RN]
4749
4-Méthylpentanoate de 4-méthylpentyle [French] [ACD/IUPAC Name]
4-Methylpentanoic acid 4-methylpentyl ester
4-Methylpentyl 4-methylpentanoate [ACD/IUPAC Name]
4-Methylpentyl 4-methylvalerate [ACD/IUPAC Name]
4-Methylpentyl-4-methylpentanoat [German] [ACD/IUPAC Name]
4-Methylvaleric acid 4-methylpentyl ester
Pentanoic acid, 4-methyl-, 4-methylpentyl ester [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 222.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 91.8±5.4 °C
Index of Refraction: 1.428
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1006.85
ACD/KOC (pH 5.5): 4910.44
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1006.85
ACD/KOC (pH 7.4): 4910.44
Polar Surface Area: 26 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 27.6±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

Click to predict properties on the Chemicalize site






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