Chemical Properties of Glutaric acid, 1-phenylpropyl propyl ester

InChI

InChI=1S/C17H24O4/c1-3-13-20-16(18)11-8-12-17(19)21-15(4-2)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3

InChI Key

ZDJAZZJWVAFNTF-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

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

Molecular Weight¹

292.37

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[341.22; 794.61]	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			2.66600e+00
Coefficient B			1.43624e+00
Coefficient C			-7.46200e-04
Coefficient D			1.01900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.22	J/mol×K	273.00	Calculated Property
Cp,gas	421.89	J/mol×K	353.78	Calculated Property
Cp,gas	494.24	J/mol×K	434.56	Calculated Property
Cp,gas	558.59	J/mol×K	515.33	Calculated Property
Cp,gas	615.25	J/mol×K	596.11	Calculated Property
Cp,gas	664.55	J/mol×K	676.89	Calculated Property
Cp,gas	706.82	J/mol×K	757.67	Calculated Property
Cp,gas	742.36	J/mol×K	838.44	Calculated Property
Cp,gas	771.52	J/mol×K	919.22	Calculated Property
Cp,gas	794.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020674; 0.0000958]	Pa×s	[377.43; 650.51]	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			-1.34990e+01
Coefficient B			2.76184e+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.			377.43
Temperature range, max.			650.51
η	0.0020674	Pa×s	377.43	Calculated Property
η	0.0011994	Pa×s	407.77	Calculated Property
η	0.0007503	Pa×s	438.11	Calculated Property
η	0.0004988	Pa×s	468.46	Calculated Property
η	0.0003485	Pa×s	498.80	Calculated Property
η	0.0002537	Pa×s	529.14	Calculated Property
η	0.0001911	Pa×s	559.48	Calculated Property
η	0.0001483	Pa×s	589.82	Calculated Property
η	0.0001179	Pa×s	620.16	Calculated Property
η	0.0000958	Pa×s	650.51	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-phenylpropyl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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