ChemSpider 2D Image | 3-Ethyl 1,5-dimethyl 3-acetyl-1,3,5-pentanetricarboxylate | C14H22O7

3-Ethyl 1,5-dimethyl 3-acetyl-1,3,5-pentanetricarboxylate

  • Molecular FormulaC14H22O7
  • Average mass302.320 Da
  • Monoisotopic mass302.136566 Da
  • ChemSpider ID28412124

More details:

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

1,3,5-Pentanetricarboxylic acid, 3-acetyl-, 3-ethyl 1,5-dimethyl ester [ACD/Index Name]
3-Acétyl-1,3,5-pentanetricarboxylate de 3-éthyle et de 1,5-diméthyle [French] [ACD/IUPAC Name]
3-Ethyl 1,5-dimethyl 3-acetyl-1,3,5-pentanetricarboxylate [ACD/IUPAC Name]
3-Ethyl-1,5-dimethyl-3-acetyl-1,3,5-pentantricarboxylat [German] [ACD/IUPAC Name]
3-ETHYL 1,5-DIMETHYL 3-ACETYLPENTANE-1,3,5-TRICARBOXYLATE
861772-69-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 381.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 165.2±27.9 °C
Index of Refraction: 1.453
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.26
ACD/KOC (pH 5.5): 171.18
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.26
ACD/KOC (pH 7.4): 171.18
Polar Surface Area: 96 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

Click to predict properties on the Chemicalize site


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