ChemSpider 2D Image | (2r)-1,2,3-Propanetriyl (2S,2'R,2''R)tris(2-ethylhexanoate) | C27H50O6

(2r)-1,2,3-Propanetriyl (2S,2'R,2''R)tris(2-ethylhexanoate)

  • Molecular FormulaC27H50O6
  • Average mass470.682 Da
  • Monoisotopic mass470.360748 Da
  • ChemSpider ID34987249

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2r)-1,2,3-Propanetriyl (2S,2'R,2''R)tris(2-ethylhexanoate) [ACD/IUPAC Name]
(2r)-1,2,3-Propantriyl-(2S,2'R,2''R)tris(2-ethylhexanoat) [German] [ACD/IUPAC Name]
(2S,2'R,2''R)Tris(2-éthylhexanoate) de (2r)-1,2,3-propanetriyle [French] [ACD/IUPAC Name]
Hexanoic acid, 2-ethyl-, 1,2,3-propanetriyl ester, (2S,2'R,2''R)- [ACD/Index Name]
230-896-0 [EINECS]
7360-38-5 [RN]
TRIETHYLHEXANOIN
UNII-7K3W1BIU6K

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

Density: 1.0±0.1 g/cm3
Boiling Point: 498.1±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 204.8±19.6 °C
Index of Refraction: 1.457
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 748066.13
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 748066.13
Polar Surface Area: 79 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 486.2±3.0 cm3

Click to predict properties on the Chemicalize site


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