Chemical Properties of Glutaric acid, octyl 3-phenylpropyl ester

InChI

InChI=1S/C22H34O4/c1-2-3-4-5-6-10-18-25-21(23)16-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3

InChI Key

NSNSACUGZAXBOA-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCCCOC(=O)CCCC(=O)OCCCc1ccccc1

Molecular Weight¹

362.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.60; 1052.02]	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			-1.97000e-01
Coefficient B			1.90532e+00
Coefficient C			-1.01500e-03
Coefficient D			1.61900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	447.60	J/mol×K	273.00	Calculated Property
Cp,gas	554.00	J/mol×K	353.78	Calculated Property
Cp,gas	649.38	J/mol×K	434.56	Calculated Property
Cp,gas	734.28	J/mol×K	515.33	Calculated Property
Cp,gas	809.20	J/mol×K	596.11	Calculated Property
Cp,gas	874.65	J/mol×K	676.89	Calculated Property
Cp,gas	931.15	J/mol×K	757.67	Calculated Property
Cp,gas	979.20	J/mol×K	838.44	Calculated Property
Cp,gas	1019.32	J/mol×K	919.22	Calculated Property
Cp,gas	1052.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008884; 0.0000574]	Pa×s	[448.78; 729.62]	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			-1.41449e+01
Coefficient B			3.19482e+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.			448.78
Temperature range, max.			729.62
η	0.0008884	Pa×s	448.78	Calculated Property
η	0.0005593	Pa×s	479.98	Calculated Property
η	0.0003725	Pa×s	511.19	Calculated Property
η	0.0002600	Pa×s	542.39	Calculated Property
η	0.0001887	Pa×s	573.60	Calculated Property
η	0.0001416	Pa×s	604.80	Calculated Property
η	0.0001093	Pa×s	636.00	Calculated Property
η	0.0000864	Pa×s	667.21	Calculated Property
η	0.0000698	Pa×s	698.41	Calculated Property
η	0.0000574	Pa×s	729.62	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octyl 3-phenylpropyl ester.

Sources

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

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