Chemical Properties of Citric acid, triallyl ester

InChI

InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2

InChI Key

PLCFYBDYBCOLSP-UHFFFAOYSA-N

Formula

C15H20O7

SMILES

C=CCOC(=O)CC(O)(CC(=O)OCC=C)C(=O)OCC=C

Molecular Weight¹

312.32

Other Names

• triallyl citrate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.31; 752.12]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.73250e+01
Coefficient B			1.36420e+00
Coefficient C			-7.79300e-04
Coefficient D			1.29900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.31	J/mol×K	273.00	Calculated Property
Cp,gas	428.16	J/mol×K	353.78	Calculated Property
Cp,gas	493.64	J/mol×K	434.56	Calculated Property
Cp,gas	551.16	J/mol×K	515.33	Calculated Property
Cp,gas	601.13	J/mol×K	596.11	Calculated Property
Cp,gas	643.96	J/mol×K	676.89	Calculated Property
Cp,gas	680.07	J/mol×K	757.67	Calculated Property
Cp,gas	709.86	J/mol×K	838.44	Calculated Property
Cp,gas	733.74	J/mol×K	919.22	Calculated Property
Cp,gas	752.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009583; 0.0000228]	Pa×s	[443.76; 689.44]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.74440e+01
Coefficient B			4.65665e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			443.76
Temperature range, max.			689.44
η	0.0009583	Pa×s	443.76	Calculated Property
η	0.0005217	Pa×s	471.06	Calculated Property
η	0.0003036	Pa×s	498.35	Calculated Property
η	0.0001869	Pa×s	525.65	Calculated Property
η	0.0001207	Pa×s	552.95	Calculated Property
η	0.0000812	Pa×s	580.25	Calculated Property
η	0.0000566	Pa×s	607.54	Calculated Property
η	0.0000407	Pa×s	634.84	Calculated Property
η	0.0000301	Pa×s	662.14	Calculated Property
η	0.0000228	Pa×s	689.44	Calculated Property

Similar Compounds

Find more compounds similar to Citric acid, triallyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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