Chemical Properties of Isophthalic acid, cis-hex-3-enyl heptadecyl ester

InChI

InChI=1S/C31H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-26-35-31(33)29-24-22-23-28(27-29)30(32)34-25-20-8-6-4-2/h6,8,22-24,27H,3-5,7,9-21,25-26H2,1-2H3/b8-6-

InChI Key

ZMFVYHBRVIDFJW-VURMDHGXSA-N

Formula

C31H50O4

SMILES

CCC=CCCOC(=O)c1cccc(C(=O)OCCCCCCCCCCCCCCCCC)c1

Molecular Weight¹

486.73

• 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	[627.07; 1482.72]	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			-8.26100e+00
Coefficient B			2.72084e+00
Coefficient C			-1.52136e-03
Coefficient D			2.91500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	627.07	J/mol×K	273.00	Calculated Property
Cp,gas	776.81	J/mol×K	353.78	Calculated Property
Cp,gas	910.72	J/mol×K	434.56	Calculated Property
Cp,gas	1029.75	J/mol×K	515.33	Calculated Property
Cp,gas	1134.80	J/mol×K	596.11	Calculated Property
Cp,gas	1226.80	J/mol×K	676.89	Calculated Property
Cp,gas	1306.67	J/mol×K	757.67	Calculated Property
Cp,gas	1375.33	J/mol×K	838.44	Calculated Property
Cp,gas	1433.71	J/mol×K	919.22	Calculated Property
Cp,gas	1482.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001996; 0.0000122]	Pa×s	[557.65; 918.14]	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			-1.56333e+01
Coefficient B			3.96724e+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.			557.65
Temperature range, max.			918.14
η	0.0001996	Pa×s	557.65	Calculated Property
η	0.0001239	Pa×s	597.70	Calculated Property
η	0.0000817	Pa×s	637.76	Calculated Property
η	0.0000566	Pa×s	677.81	Calculated Property
η	0.0000408	Pa×s	717.87	Calculated Property
η	0.0000305	Pa×s	757.92	Calculated Property
η	0.0000234	Pa×s	797.97	Calculated Property
η	0.0000185	Pa×s	838.03	Calculated Property
η	0.0000149	Pa×s	878.08	Calculated Property
η	0.0000122	Pa×s	918.14	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cis-hex-3-enyl heptadecyl ester.

Sources

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

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