Chemical Properties of Isophthalic acid, dodecyl pent-4-enyl ester

InChI

InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-15-20-29-25(27)23-18-16-17-22(21-23)24(26)28-19-14-6-4-2/h4,16-18,21H,2-3,5-15,19-20H2,1H3

InChI Key

HFMXJEPQOVJJQJ-UHFFFAOYSA-N

Formula

C25H38O4

SMILES

C=CCCCOC(=O)c1cccc(C(=O)OCCCCCCCCCCCC)c1

Molecular Weight¹

402.57

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.99; 1175.24]	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			8.38400e+00
Coefficient B			2.11082e+00
Coefficient C			-1.13406e-03
Coefficient D			1.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	503.99	J/mol×K	273.00	Calculated Property
Cp,gas	621.63	J/mol×K	353.78	Calculated Property
Cp,gas	727.10	J/mol×K	434.56	Calculated Property
Cp,gas	821.01	J/mol×K	515.33	Calculated Property
Cp,gas	903.95	J/mol×K	596.11	Calculated Property
Cp,gas	976.53	J/mol×K	676.89	Calculated Property
Cp,gas	1039.35	J/mol×K	757.67	Calculated Property
Cp,gas	1093.01	J/mol×K	838.44	Calculated Property
Cp,gas	1138.10	J/mol×K	919.22	Calculated Property
Cp,gas	1175.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005036; 0.0000399]	Pa×s	[493.35; 785.80]	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			-1.44061e+01
Coefficient B			3.36088e+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.			493.35
Temperature range, max.			785.80
η	0.0005036	Pa×s	493.35	Calculated Property
η	0.0003306	Pa×s	525.84	Calculated Property
η	0.0002279	Pa×s	558.34	Calculated Property
η	0.0001637	Pa×s	590.83	Calculated Property
η	0.0001217	Pa×s	623.33	Calculated Property
η	0.0000931	Pa×s	655.82	Calculated Property
η	0.0000731	Pa×s	688.32	Calculated Property
η	0.0000587	Pa×s	720.81	Calculated Property
η	0.0000480	Pa×s	753.31	Calculated Property
η	0.0000399	Pa×s	785.80	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, dodecyl pent-4-enyl ester.

Sources

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

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