Chemical Properties of Isophthalic acid, oct-3-en-2-yl propyl ester

InChI

InChI=1S/C19H26O4/c1-4-6-7-8-10-15(3)23-19(21)17-12-9-11-16(14-17)18(20)22-13-5-2/h8-12,14-15H,4-7,13H2,1-3H3/b10-8+

InChI Key

GUMWVJKMLOBMRW-CSKARUKUSA-N

Formula

C19H26O4

SMILES

CCCCC=CC(C)OC(=O)c1cccc(C(=O)OCCC)c1

Molecular Weight¹

318.41

• 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	[372.19; 864.16]	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			9.65000e-01
Coefficient B			1.58676e+00
Coefficient C			-8.71760e-04
Coefficient D			1.48200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.19	J/mol×K	273.00	Calculated Property
Cp,gas	459.78	J/mol×K	353.78	Calculated Property
Cp,gas	538.04	J/mol×K	434.56	Calculated Property
Cp,gas	607.45	J/mol×K	515.33	Calculated Property
Cp,gas	668.46	J/mol×K	596.11	Calculated Property
Cp,gas	721.57	J/mol×K	676.89	Calculated Property
Cp,gas	767.22	J/mol×K	757.67	Calculated Property
Cp,gas	805.89	J/mol×K	838.44	Calculated Property
Cp,gas	838.05	J/mol×K	919.22	Calculated Property
Cp,gas	864.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011749; 0.0000646]	Pa×s	[407.41; 691.75]	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			-1.38037e+01
Coefficient B			2.87514e+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.			407.41
Temperature range, max.			691.75
η	0.0011749	Pa×s	407.41	Calculated Property
η	0.0007071	Pa×s	439.00	Calculated Property
η	0.0004555	Pa×s	470.60	Calculated Property
η	0.0003102	Pa×s	502.19	Calculated Property
η	0.0002210	Pa×s	533.78	Calculated Property
η	0.0001636	Pa×s	565.37	Calculated Property
η	0.0001250	Pa×s	596.97	Calculated Property
η	0.0000981	Pa×s	628.56	Calculated Property
η	0.0000788	Pa×s	660.15	Calculated Property
η	0.0000646	Pa×s	691.75	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, oct-3-en-2-yl propyl ester.

Sources

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

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