ChemSpider 2D Image | 2-stearyl estercitric acid | C24H44O7

2-stearyl estercitric acid

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID30777336

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 2-octadecyl ester [ACD/Index Name]
138195-28-5 [RN]
2-stearyl estercitric acid
3-Hydroxy-3-[(octadecyloxy)carbonyl]pentandisäure [German] [ACD/IUPAC Name]
3-Hydroxy-3-[(octadecyloxy)carbonyl]pentanedioic acid [ACD/IUPAC Name]
Acide 3-hydroxy-3-[(octadécyloxy)carbonyl]pentanedioïque [French] [ACD/IUPAC Name]
CITRIC ACID, 2-STEARYL ESTER
1337-33-3 [RN]
215-654-4 [EINECS]
2-Stearyl citrate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8BP9RH38AA [DBID]
UNII:8BP9RH38AA [DBID]
UNII-8BP9RH38AA [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 186.8±23.6 °C
Index of Refraction: 1.488
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 56.46
ACD/KOC (pH 5.5): 66.15
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 3.20
Polar Surface Area: 121 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

Click to predict properties on the Chemicalize site


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