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

InChI

InChI=1S/C21H24O4/c1-16(18-10-5-3-6-11-18)24-20(22)14-9-15-21(23)25-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3

InChI Key

BINGVWUXLVUIJH-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

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

Molecular Weight¹

340.41

• 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	[368.50; 882.98]	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			-3.65570e+01
Coefficient B			1.74324e+00
Coefficient C			-9.98200e-04
Coefficient D			1.74500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.50	J/mol×K	273.00	Calculated Property
Cp,gas	462.96	J/mol×K	353.78	Calculated Property
Cp,gas	546.80	J/mol×K	434.56	Calculated Property
Cp,gas	620.58	J/mol×K	515.33	Calculated Property
Cp,gas	684.86	J/mol×K	596.11	Calculated Property
Cp,gas	740.19	J/mol×K	676.89	Calculated Property
Cp,gas	787.11	J/mol×K	757.67	Calculated Property
Cp,gas	826.18	J/mol×K	838.44	Calculated Property
Cp,gas	857.96	J/mol×K	919.22	Calculated Property
Cp,gas	882.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011546; 0.0000510]	Pa×s	[433.93; 750.53]	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			-1.41608e+01
Coefficient B			3.20972e+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.			433.93
Temperature range, max.			750.53
η	0.0011546	Pa×s	433.93	Calculated Property
η	0.0006631	Pa×s	469.11	Calculated Property
η	0.0004114	Pa×s	504.29	Calculated Property
η	0.0002717	Pa×s	539.46	Calculated Property
η	0.0001887	Pa×s	574.64	Calculated Property
η	0.0001367	Pa×s	609.82	Calculated Property
η	0.0001026	Pa×s	645.00	Calculated Property
η	0.0000793	Pa×s	680.17	Calculated Property
η	0.0000629	Pa×s	715.35	Calculated Property
η	0.0000510	Pa×s	750.53	Calculated Property

Similar Compounds

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