Chemical Properties of Isophthalic acid, dodecyl 2-propylphenyl ester

InChI

InChI=1S/C29H40O4/c1-3-5-6-7-8-9-10-11-12-15-22-32-28(30)25-19-16-20-26(23-25)29(31)33-27-21-14-13-18-24(27)17-4-2/h13-14,16,18-21,23H,3-12,15,17,22H2,1-2H3

InChI Key

TXUWLBHPRGNXJY-UHFFFAOYSA-N

Formula

C29H40O4

SMILES

CCCCCCCCCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2CCC)c1

Molecular Weight¹

452.63

• 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	[543.94; 1288.55]	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			-1.18670e+01
Coefficient B			2.37244e+00
Coefficient C			-1.29292e-03
Coefficient D			2.20900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	543.94	J/mol×K	273.00	Calculated Property
Cp,gas	675.41	J/mol×K	353.78	Calculated Property
Cp,gas	793.06	J/mol×K	434.56	Calculated Property
Cp,gas	897.60	J/mol×K	515.33	Calculated Property
Cp,gas	989.73	J/mol×K	596.11	Calculated Property
Cp,gas	1070.13	J/mol×K	676.89	Calculated Property
Cp,gas	1139.52	J/mol×K	757.67	Calculated Property
Cp,gas	1198.59	J/mol×K	838.44	Calculated Property
Cp,gas	1248.03	J/mol×K	919.22	Calculated Property
Cp,gas	1288.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002083; 0.0000209]	Pa×s	[579.13; 893.86]	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			-1.50119e+01
Coefficient B			3.78484e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			579.13
Temperature range, max.			893.86
η	0.0002083	Pa×s	579.13	Calculated Property
η	0.0001436	Pa×s	614.10	Calculated Property
η	0.0001030	Pa×s	649.07	Calculated Property
η	0.0000765	Pa×s	684.04	Calculated Property
η	0.0000584	Pa×s	719.01	Calculated Property
η	0.0000458	Pa×s	753.98	Calculated Property
η	0.0000366	Pa×s	788.95	Calculated Property
η	0.0000299	Pa×s	823.92	Calculated Property
η	0.0000248	Pa×s	858.89	Calculated Property
η	0.0000209	Pa×s	893.86	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, dodecyl 2-propylphenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.