ChemSpider 2D Image | ISODECYL 1-CITRATE | C16H28O7

ISODECYL 1-CITRATE

  • Molecular FormulaC16H28O7
  • Average mass332.389 Da
  • Monoisotopic mass332.183502 Da
  • ChemSpider ID11317754

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(8-methylnonyl) ester [ACD/Index Name]
2-Hydroxy-2-{2-[(8-methylnonyl)oxy]-2-oxoethyl}bernsteinsäure [German] [ACD/IUPAC Name]
2-Hydroxy-2-{2-[(8-methylnonyl)oxy]-2-oxoethyl}succinic acid [ACD/IUPAC Name]
Acide 2-hydroxy-2-{2-[(8-méthylnonyl)oxy]-2-oxoéthyl}succinique [French] [ACD/IUPAC Name]
ISODECYL 1-CITRATE

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

IF54437VFU [DBID]
UNII:IF54437VFU [DBID]

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

Density: 1.2±0.0 g/cm3
Boiling Point: 496.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 88.0±0.0 kJ/mol
Flash Point: 173.0±0.0 °C
Index of Refraction: 1.494
Molar Refractivity: 82.5±0.0 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 32.7±0.0 10-24cm3
Surface Tension: 48.1±0.0 dyne/cm
Molar Volume: 283.3±0.0 cm3

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