Chemical Properties of Glutaric acid, 2-isopropoxyphenyl pentadecyl ester

InChI

InChI=1S/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-32-28(30)22-19-23-29(31)34-27-21-17-16-20-26(27)33-25(2)3/h16-17,20-21,25H,4-15,18-19,22-24H2,1-3H3

InChI Key

KUZFMZGQUKVCNG-UHFFFAOYSA-N

Formula

C29H48O5

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

476.69

• 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	[613.74; 1429.16]	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			3.15570e+01
Coefficient B			2.45356e+00
Coefficient C			-1.22096e-03
Coefficient D			1.65000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	613.74	J/mol×K	273.00	Calculated Property
Cp,gas	754.06	J/mol×K	353.78	Calculated Property
Cp,gas	880.74	J/mol×K	434.56	Calculated Property
Cp,gas	994.29	J/mol×K	515.33	Calculated Property
Cp,gas	1095.24	J/mol×K	596.11	Calculated Property
Cp,gas	1184.10	J/mol×K	676.89	Calculated Property
Cp,gas	1261.40	J/mol×K	757.67	Calculated Property
Cp,gas	1327.66	J/mol×K	838.44	Calculated Property
Cp,gas	1383.41	J/mol×K	919.22	Calculated Property
Cp,gas	1429.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002136; 0.0000131]	Pa×s	[547.42; 891.09]	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			-1.56901e+01
Coefficient B			3.96259e+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.			547.42
Temperature range, max.			891.09
η	0.0002136	Pa×s	547.42	Calculated Property
η	0.0001332	Pa×s	585.61	Calculated Property
η	0.0000880	Pa×s	623.79	Calculated Property
η	0.0000610	Pa×s	661.98	Calculated Property
η	0.0000440	Pa×s	700.16	Calculated Property
η	0.0000329	Pa×s	738.35	Calculated Property
η	0.0000252	Pa×s	776.53	Calculated Property
η	0.0000199	Pa×s	814.72	Calculated Property
η	0.0000160	Pa×s	852.90	Calculated Property
η	0.0000131	Pa×s	891.09	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-isopropoxyphenyl pentadecyl ester.

Sources

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

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