ChemSpider 2D Image | (2S)-Tetrahydro-2-furanylmethyl butyrate | C9H16O3

(2S)-Tetrahydro-2-furanylmethyl butyrate

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID32787207

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Tetrahydro-2-furanylmethyl butyrate [ACD/IUPAC Name]
(2S)-Tetrahydro-2-furanylmethylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, [(2S)-tetrahydro-2-furanyl]methyl ester [ACD/Index Name]
Butyrate de (2S)-tétrahydro-2-furanylméthyle [French] [ACD/IUPAC Name]
218-710-6 [EINECS]
2217-33-6 [RN]
Tetrahydrofurfuryl butyrate
UNII-W41378D174

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

Density: 1.0±0.1 g/cm3
Boiling Point: 234.4±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 98.9±0.0 °C
Index of Refraction: 1.442
Molar Refractivity: 45.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.91
ACD/KOC (pH 5.5): 152.95
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.91
ACD/KOC (pH 7.4): 152.95
Polar Surface Area: 36 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 170.3±3.0 cm3

Click to predict properties on the Chemicalize site


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