ChemSpider 2D Image | (2R)-1-{[(2R)-1-(Benzoyloxy)-2-propanyl]oxy}-2-propanyl benzoate | C20H22O5

(2R)-1-{[(2R)-1-(Benzoyloxy)-2-propanyl]oxy}-2-propanyl benzoate

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID32787743

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1-{[(2R)-1-(Benzoyloxy)-2-propanyl]oxy}-2-propanyl benzoate [ACD/IUPAC Name]
(2R)-1-{[(2R)-1-(Benzoyloxy)-2-propanyl]oxy}-2-propanyl-benzoat [German] [ACD/IUPAC Name]
1-Propanol, 2-[(2R)-2-(benzoyloxy)propoxy]-, benzoate, (2R)- [ACD/Index Name]
Benzoate de (2R)-1-{[(2R)-1-(benzoyloxy)-2-propanyl]oxy}-2-propanyle [French] [ACD/IUPAC Name]
248-258-5 [EINECS]
27138-31-4 [RN]
Dipropylene glycol dibenzoate
UNII-6OA5ZDY41O

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

Density: 1.1±0.1 g/cm3
Boiling Point: 415.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 179.2±21.8 °C
Index of Refraction: 1.542
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1389.73
ACD/KOC (pH 5.5): 6184.54
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1389.73
ACD/KOC (pH 7.4): 6184.54
Polar Surface Area: 62 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 299.3±3.0 cm3

Click to predict properties on the Chemicalize site


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