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ChemSpider 2D Image | Isopentyl salicylate | C12H16O3

Isopentyl salicylate

  • Molecular FormulaC12H16O3
  • Average mass208.254 Da
  • Monoisotopic mass208.109940 Da
  • ChemSpider ID21111903

More details:






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

3-Methyl-2-butanyl salicylate [ACD/IUPAC Name]
3-Methyl-2-butanylsalicylat [German] [ACD/IUPAC Name]
3-Methylbutan-2-yl salicylate
Benzoic acid, 2-hydroxy-, 1,2-dimethylpropyl ester [ACD/Index Name]
Isopentyl salicylate
Salicylate de 3-méthyl-2-butanyle [French] [ACD/IUPAC Name]
MFCD00020037 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 275.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 106.5±12.6 °C
Index of Refraction: 1.518
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.23
ACD/KOC (pH 5.5): 3071.28
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 434.47
ACD/KOC (pH 7.4): 2550.27
Polar Surface Area: 47 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 192.5±3.0 cm3

Click to predict properties on the Chemicalize site






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