Chemical Properties of Phthalic acid, 4-methylpent-2-yl tetradecyl ester

InChI

InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-31-27(29)25-19-16-17-20-26(25)28(30)32-24(4)22-23(2)3/h16-17,19-20,23-24H,5-15,18,21-22H2,1-4H3

InChI Key

ZSUJLSARPPLNRM-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C)CC(C)C

Molecular Weight¹

446.66

• 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	[576.81; 1359.60]	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			5.28400e+00
Coefficient B			2.42768e+00
Coefficient C			-1.28076e-03
Coefficient D			2.07400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	576.81	J/mol×K	273.00	Calculated Property
Cp,gas	713.03	J/mol×K	353.78	Calculated Property
Cp,gas	835.41	J/mol×K	434.56	Calculated Property
Cp,gas	944.60	J/mol×K	515.33	Calculated Property
Cp,gas	1041.27	J/mol×K	596.11	Calculated Property
Cp,gas	1126.06	J/mol×K	676.89	Calculated Property
Cp,gas	1199.63	J/mol×K	757.67	Calculated Property
Cp,gas	1262.64	J/mol×K	838.44	Calculated Property
Cp,gas	1315.75	J/mol×K	919.22	Calculated Property
Cp,gas	1359.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004441; 0.0000197]	Pa×s	[498.92; 847.12]	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			-1.53042e+01
Coefficient B			3.78416e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			498.92
Temperature range, max.			847.12
η	0.0004441	Pa×s	498.92	Calculated Property
η	0.0002573	Pa×s	537.61	Calculated Property
η	0.0001604	Pa×s	576.30	Calculated Property
η	0.0001061	Pa×s	614.99	Calculated Property
η	0.0000737	Pa×s	653.67	Calculated Property
η	0.0000534	Pa×s	692.36	Calculated Property
η	0.0000400	Pa×s	731.05	Calculated Property
η	0.0000308	Pa×s	769.74	Calculated Property
η	0.0000243	Pa×s	808.43	Calculated Property
η	0.0000197	Pa×s	847.12	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 4-methylpent-2-yl tetradecyl ester.

Sources

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

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