Chemical Properties of Phthalic acid, hexadecyl pent-4-enyl ester

InChI

InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-6-4-2/h4,18-19,22-23H,2-3,5-17,20-21,24-25H2,1H3

InChI Key

AZPBGVBWYPQXDI-UHFFFAOYSA-N

Formula

C29H46O4

SMILES

C=CCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

458.67

• 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	[588.84; 1381.61]	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			4.74800e+00
Coefficient B			2.49082e+00
Coefficient C			-1.35166e-03
Coefficient D			2.37700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	588.84	J/mol×K	273.00	Calculated Property
Cp,gas	727.30	J/mol×K	353.78	Calculated Property
Cp,gas	851.41	J/mol×K	434.56	Calculated Property
Cp,gas	961.92	J/mol×K	515.33	Calculated Property
Cp,gas	1059.59	J/mol×K	596.11	Calculated Property
Cp,gas	1145.17	J/mol×K	676.89	Calculated Property
Cp,gas	1219.41	J/mol×K	757.67	Calculated Property
Cp,gas	1283.06	J/mol×K	838.44	Calculated Property
Cp,gas	1336.88	J/mol×K	919.22	Calculated Property
Cp,gas	1381.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002945; 0.0000212]	Pa×s	[538.43; 866.82]	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			-1.50716e+01
Coefficient B			3.73752e+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.			538.43
Temperature range, max.			866.82
η	0.0002945	Pa×s	538.43	Calculated Property
η	0.0001896	Pa×s	574.92	Calculated Property
η	0.0001286	Pa×s	611.40	Calculated Property
η	0.0000912	Pa×s	647.89	Calculated Property
η	0.0000670	Pa×s	684.38	Calculated Property
η	0.0000508	Pa×s	720.87	Calculated Property
η	0.0000396	Pa×s	757.35	Calculated Property
η	0.0000316	Pa×s	793.84	Calculated Property
η	0.0000257	Pa×s	830.33	Calculated Property
η	0.0000212	Pa×s	866.82	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, hexadecyl pent-4-enyl ester.

Sources

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

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