Chemical Properties of Glutaric acid, pentyl 1-phenylethyl ester

InChI

InChI=1S/C18H26O4/c1-3-4-8-14-21-17(19)12-9-13-18(20)22-15(2)16-10-6-5-7-11-16/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3

InChI Key

WHHHYXIQWYJVEO-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

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

Molecular Weight¹

306.40

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[362.43; 846.20]	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			1.75700e+00
Coefficient B			1.53124e+00
Coefficient C			-8.00600e-04
Coefficient D			1.13800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.43	J/mol×K	273.00	Calculated Property
Cp,gas	448.31	J/mol×K	353.78	Calculated Property
Cp,gas	525.32	J/mol×K	434.56	Calculated Property
Cp,gas	593.82	J/mol×K	515.33	Calculated Property
Cp,gas	654.16	J/mol×K	596.11	Calculated Property
Cp,gas	706.71	J/mol×K	676.89	Calculated Property
Cp,gas	751.83	J/mol×K	757.67	Calculated Property
Cp,gas	789.88	J/mol×K	838.44	Calculated Property
Cp,gas	821.21	J/mol×K	919.22	Calculated Property
Cp,gas	846.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018298; 0.0000861]	Pa×s	[388.70; 665.63]	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			-1.36511e+01
Coefficient B			2.85600e+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.			388.70
Temperature range, max.			665.63
η	0.0018298	Pa×s	388.70	Calculated Property
η	0.0010674	Pa×s	419.47	Calculated Property
η	0.0006703	Pa×s	450.24	Calculated Property
η	0.0004467	Pa×s	481.01	Calculated Property
η	0.0003126	Pa×s	511.78	Calculated Property
η	0.0002278	Pa×s	542.55	Calculated Property
η	0.0001717	Pa×s	573.32	Calculated Property
η	0.0001332	Pa×s	604.09	Calculated Property
η	0.0001060	Pa×s	634.86	Calculated Property
η	0.0000861	Pa×s	665.63	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, pentyl 1-phenylethyl ester.

Sources

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

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