ChemSpider 2D Image | 2-Isopropyl citrate | C9H14O7

2-Isopropyl citrate

  • Molecular FormulaC9H14O7
  • Average mass234.203 Da
  • Monoisotopic mass234.073959 Da
  • ChemSpider ID21163824

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 2-(1-methylethyl) ester [ACD/Index Name]
2-(1-Methylethyl) 2-hydroxy-1,2,3-propanetricarboxylate
281-490-5 [EINECS]
2-Isopropyl citrate
3-Hydroxy-3-(isopropoxycarbonyl)pentandisäure [German] [ACD/IUPAC Name]
3-Hydroxy-3-(isopropoxycarbonyl)pentanedioic acid [ACD/IUPAC Name]
83966-24-9 [RN]
Acide 3-hydroxy-3-(isopropoxycarbonyl)pentanedioïque [French] [ACD/IUPAC Name]
1,2,3-Propanetricarboxylic acid,2-hydroxy-,2-(1-methylethyl)ester
2-isopropyl dihydrogen citrate
More...

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

GR0934P0DP [DBID]
UNII:GR0934P0DP [DBID]
UNII-GR0934P0DP [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 432.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 170.7±22.2 °C
Index of Refraction: 1.509
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 167.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement