Chemical Properties of Isophthalic acid, cis-tetradec-3-enyl octyl ester

InChI

InChI=1S/C30H48O4/c1-3-5-7-9-11-12-13-14-15-16-18-20-25-34-30(32)28-23-21-22-27(26-28)29(31)33-24-19-17-10-8-6-4-2/h16,18,21-23,26H,3-15,17,19-20,24-25H2,1-2H3

InChI Key

WFSQBRTXPGPCEQ-VLGSPTGOSA-N

Formula

C30H48O4

SMILES

CCCCCCCCCC/C=C\CCOC(=O)c1cccc(C(=O)OCCCCCCCC)c1

Molecular Weight¹

472.71

• 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	[605.86; 1431.13]	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			-7.35200e+00
Coefficient B			2.62584e+00
Coefficient C			-1.46696e-03
Coefficient D			2.79600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	605.86	J/mol×K	273.00	Calculated Property
Cp,gas	750.39	J/mol×K	353.78	Calculated Property
Cp,gas	879.65	J/mol×K	434.56	Calculated Property
Cp,gas	994.52	J/mol×K	515.33	Calculated Property
Cp,gas	1095.89	J/mol×K	596.11	Calculated Property
Cp,gas	1184.63	J/mol×K	676.89	Calculated Property
Cp,gas	1261.65	J/mol×K	757.67	Calculated Property
Cp,gas	1327.81	J/mol×K	838.44	Calculated Property
Cp,gas	1384.01	J/mol×K	919.22	Calculated Property
Cp,gas	1431.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002306; 0.0000146]	Pa×s	[546.38; 895.05]	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			-1.54635e+01
Coefficient B			3.87308e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			546.38
Temperature range, max.			895.05
η	0.0002306	Pa×s	546.38	Calculated Property
η	0.0001442	Pa×s	585.12	Calculated Property
η	0.0000956	Pa×s	623.86	Calculated Property
η	0.0000665	Pa×s	662.60	Calculated Property
η	0.0000482	Pa×s	701.34	Calculated Property
η	0.0000361	Pa×s	740.08	Calculated Property
η	0.0000278	Pa×s	778.83	Calculated Property
η	0.0000220	Pa×s	817.57	Calculated Property
η	0.0000177	Pa×s	856.31	Calculated Property
η	0.0000146	Pa×s	895.05	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cis-tetradec-3-enyl octyl ester.

Sources

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

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