ChemSpider 2D Image | 1,2-DISTEARYL CITRATE | C42H80O7

1,2-DISTEARYL CITRATE

  • Molecular FormulaC42H80O7
  • Average mass697.080 Da
  • Monoisotopic mass696.590393 Da
  • ChemSpider ID9818058

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-dioctadecyl ester [ACD/Index Name]
1,2-DISTEARYL CITRATE
3-Hydroxy-5-(octadecyloxy)-3-[(octadecyloxy)carbonyl]-5-oxopentanoic acid [ACD/IUPAC Name]
3-Hydroxy-5-(octadecyloxy)-3-[(octadecyloxy)carbonyl]-5-oxopentansäure [German] [ACD/IUPAC Name]
750511-99-0 [RN]
Acide 3-hydroxy-5-(octadécyloxy)-3-[(octadécyloxy)carbonyl]-5-oxopentanoïque [French] [ACD/IUPAC Name]
29589-99-9 [RN]
DISTEARYL CITRATE

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

5UXT26NCMI [DBID]
UNII:5UXT26NCMI [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: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.6±6.0 kJ/mol
Flash Point: 206.7±26.4 °C
Index of Refraction: 1.476
Molar Refractivity: 203.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 17.47
ACD/LogD (pH 5.5): 14.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4089157.00
Polar Surface Area: 110 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 721.0±3.0 cm3

Click to predict properties on the Chemicalize site


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