ChemSpider 2D Image | (2R)-1,2-Propanediyl dibutanoate | C11H20O4

(2R)-1,2-Propanediyl dibutanoate

  • Molecular FormulaC11H20O4
  • Average mass216.274 Da
  • Monoisotopic mass216.136154 Da
  • ChemSpider ID34991904
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1,2-Propandiyl-dibutanoat [German] [ACD/IUPAC Name]
(2R)-1,2-Propanediyl dibutanoate [ACD/IUPAC Name]
Butanoic acid, (1R)-1-methyl-2-(1-oxobutoxy)ethyl ester [ACD/Index Name]
Dibutanoate de (2R)-1,2-propanediyle [French] [ACD/IUPAC Name]
256-888-7 [EINECS]
50980-84-2 [RN]
PROPYLENE GLYCOL DIBUTYRATE
UNII-KQ2A0DW803

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

Density: 1.0±0.1 g/cm3
Boiling Point: 268.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 122.1±18.2 °C
Index of Refraction: 1.433
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.73
ACD/KOC (pH 5.5): 610.74
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.73
ACD/KOC (pH 7.4): 610.74
Polar Surface Area: 53 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 217.5±3.0 cm3

Click to predict properties on the Chemicalize site






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