Chemical Properties of Glutaric acid, heptadecyl 2-methylphenyl ester

InChI

InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-32-28(30)23-20-24-29(31)33-27-22-18-17-21-26(27)2/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3

InChI Key

VHYFWZJICZKZJO-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)Oc1ccccc1C

Molecular Weight¹

460.69

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.65; 1410.12]	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			7.73900e+00
Coefficient B			2.51084e+00
Coefficient C			-1.32876e-03
Coefficient D			2.20300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	598.65	J/mol×K	273.00	Calculated Property
Cp,gas	739.47	J/mol×K	353.78	Calculated Property
Cp,gas	866.00	J/mol×K	434.56	Calculated Property
Cp,gas	978.93	J/mol×K	515.33	Calculated Property
Cp,gas	1078.97	J/mol×K	596.11	Calculated Property
Cp,gas	1166.81	J/mol×K	676.89	Calculated Property
Cp,gas	1243.15	J/mol×K	757.67	Calculated Property
Cp,gas	1308.68	J/mol×K	838.44	Calculated Property
Cp,gas	1364.11	J/mol×K	919.22	Calculated Property
Cp,gas	1410.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002845; 0.0000197]	Pa×s	[540.19; 870.76]	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			-1.52043e+01
Coefficient B			3.80268e+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.			540.19
Temperature range, max.			870.76
η	0.0002845	Pa×s	540.19	Calculated Property
η	0.0001817	Pa×s	576.92	Calculated Property
η	0.0001225	Pa×s	613.65	Calculated Property
η	0.0000863	Pa×s	650.38	Calculated Property
η	0.0000632	Pa×s	687.11	Calculated Property
η	0.0000477	Pa×s	723.84	Calculated Property
η	0.0000370	Pa×s	760.57	Calculated Property
η	0.0000294	Pa×s	797.30	Calculated Property
η	0.0000238	Pa×s	834.03	Calculated Property
η	0.0000197	Pa×s	870.76	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, heptadecyl 2-methylphenyl ester.

Sources

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

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