Chemical Properties of Glutaric acid, di(1-phenylpropyl) ester

InChI

InChI=1S/C23H28O4/c1-3-20(18-12-7-5-8-13-18)26-22(24)16-11-17-23(25)27-21(4-2)19-14-9-6-10-15-19/h5-10,12-15,20-21H,3-4,11,16-17H2,1-2H3

InChI Key

FMSQSJWGXTVTPC-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CCC(OC(=O)CCCC(=O)OC(CC)c1ccccc1)c1ccccc1

Molecular Weight¹

368.47

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[410.93; 986.16]	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			-3.83750e+01
Coefficient B			1.93324e+00
Coefficient C			-1.10700e-03
Coefficient D			1.98300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	410.93	J/mol×K	273.00	Calculated Property
Cp,gas	515.79	J/mol×K	353.78	Calculated Property
Cp,gas	608.95	J/mol×K	434.56	Calculated Property
Cp,gas	691.04	J/mol×K	515.33	Calculated Property
Cp,gas	762.69	J/mol×K	596.11	Calculated Property
Cp,gas	824.51	J/mol×K	676.89	Calculated Property
Cp,gas	877.14	J/mol×K	757.67	Calculated Property
Cp,gas	921.21	J/mol×K	838.44	Calculated Property
Cp,gas	957.34	J/mol×K	919.22	Calculated Property
Cp,gas	986.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008801; 0.0000400]	Pa×s	[456.47; 780.61]	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			-1.44796e+01
Coefficient B			3.39804e+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.			456.47
Temperature range, max.			780.61
η	0.0008801	Pa×s	456.47	Calculated Property
η	0.0005106	Pa×s	492.49	Calculated Property
η	0.0003191	Pa×s	528.50	Calculated Property
η	0.0002117	Pa×s	564.52	Calculated Property
η	0.0001476	Pa×s	600.53	Calculated Property
η	0.0001071	Pa×s	636.55	Calculated Property
η	0.0000805	Pa×s	672.57	Calculated Property
η	0.0000623	Pa×s	708.58	Calculated Property
η	0.0000494	Pa×s	744.60	Calculated Property
η	0.0000400	Pa×s	780.61	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(1-phenylpropyl) 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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