ChemSpider 2D Image | (2R)-2-Pentanyl butyrate | C9H18O2

(2R)-2-Pentanyl butyrate

  • Molecular FormulaC9H18O2
  • Average mass158.238 Da
  • Monoisotopic mass158.130676 Da
  • ChemSpider ID18733292

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Pentanyl butyrate [ACD/IUPAC Name]
(2R)-2-Pentanylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (1R)-1-methylbutyl ester [ACD/Index Name]
Butyrate de (2R)-2-pentanyle [French] [ACD/IUPAC Name]
262-226-8 [EINECS]
2-PENTYL BUTYRATE
60415-61-4 [RN]
UNII-O5709B244U

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.0 g/cm3
Boiling Point: 176.5±0.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 41.3±0.0 kJ/mol
Flash Point: 59.4±0.0 °C
Index of Refraction: 1.416
Molar Refractivity: 45.5±0.0 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.05
ACD/KOC (pH 5.5): 1280.97
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.05
ACD/KOC (pH 7.4): 1280.97
Polar Surface Area: 26 Å2
Polarizability: 18.0±0.0 10-24cm3
Surface Tension: 27.0±0.0 dyne/cm
Molar Volume: 181.0±0.0 cm3

Click to predict properties on the Chemicalize site


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