ChemSpider 2D Image | 2-PENTYL 2-METHYLPENTANOATE | C11H22O2

2-PENTYL 2-METHYLPENTANOATE

  • Molecular FormulaC11H22O2
  • Average mass186.291 Da
  • Monoisotopic mass186.161987 Da
  • ChemSpider ID32699570

More details:






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

2-Méthylpentanoate de 2-pentanyle [French] [ACD/IUPAC Name]
2-Pentanyl 2-methylpentanoate [ACD/IUPAC Name]
2-Pentanyl-2-methylpentanoat [German] [ACD/IUPAC Name]
2-PENTYL 2-METHYLPENTANOATE
90397-36-7 [RN]
Pentanoic acid, 2-methyl-, 1-methylbutyl ester [ACD/Index Name]

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

F9V9W3014W [DBID]
UNII:F9V9W3014W [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 203.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±3.0 kJ/mol
Flash Point: 78.9±5.4 °C
Index of Refraction: 1.424
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.69
ACD/KOC (pH 5.5): 2256.06
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.69
ACD/KOC (pH 7.4): 2256.06
Polar Surface Area: 26 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 27.2±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

Click to predict properties on the Chemicalize site






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