ChemSpider 2D Image | DIMYRISTOYL PENTAERYTHRITYL DISTEARYL CITRATE | C75H142O12

DIMYRISTOYL PENTAERYTHRITYL DISTEARYL CITRATE

  • Molecular FormulaC75H142O12
  • Average mass1235.923 Da
  • Monoisotopic mass1235.050171 Da
  • ChemSpider ID52083562

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-[3-hydroxy-2,2-bis[[(1-oxotetradecyl)oxy]methyl]propyl] 2,3-dioctadecyl ester [ACD/Index Name]
1-{3-Hydroxy-2,2-bis[(tetradecanoyloxy)methyl]propyl} 2,3-dioctadecyl citrate [ACD/IUPAC Name]
1-{3-Hydroxy-2,2-bis[(tetradecanoyloxy)methyl]propyl}-2,3-dioctadecylcitrat [German] [ACD/IUPAC Name]
Citrate de 1-{3-hydroxy-2,2-bis[(tetradecanoyloxy)méthyl]propyle} et de 2,3-dioctadécyle [French] [ACD/IUPAC Name]
DIMYRISTOYL PENTAERYTHRITYL DISTEARYL CITRATE

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

H1127H7Y4I [DBID]
UNII:H1127H7Y4I [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1009.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.0±6.0 kJ/mol
Flash Point: 235.2±27.8 °C
Index of Refraction: 1.477
Molar Refractivity: 361.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 75
#Rule of 5 Violations: 3
ACD/LogP: 30.55
ACD/LogD (pH 5.5): 28.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 28.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 172 Å2
Polarizability: 143.3±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 1279.1±3.0 cm3

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