Chemical Properties of Isophthalic acid, 3,4-dimethylphenyl propyl ester

InChI

InChI=1S/C19H20O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-9,11-12H,4,10H2,1-3H3

InChI Key

WUCWVYNEMBICDK-UHFFFAOYSA-N

Formula

C19H20O4

SMILES

CCCOC(=O)c1cccc(C(=O)Oc2ccc(C)c(C)c2)c1

Molecular Weight¹

312.36

• 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	[334.36; 769.60]	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			1.15220e+01
Coefficient B			1.36296e+00
Coefficient C			-6.81880e-04
Coefficient D			7.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.36	J/mol×K	273.00	Calculated Property
Cp,gas	411.77	J/mol×K	353.78	Calculated Property
Cp,gas	481.36	J/mol×K	434.56	Calculated Property
Cp,gas	543.35	J/mol×K	515.33	Calculated Property
Cp,gas	598.00	J/mol×K	596.11	Calculated Property
Cp,gas	645.55	J/mol×K	676.89	Calculated Property
Cp,gas	686.24	J/mol×K	757.67	Calculated Property
Cp,gas	720.32	J/mol×K	838.44	Calculated Property
Cp,gas	748.02	J/mol×K	919.22	Calculated Property
Cp,gas	769.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005702; 0.0000768]	Pa×s	[478.95; 730.03]	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			-1.32988e+01
Coefficient B			2.79198e+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.			478.95
Temperature range, max.			730.03
η	0.0005702	Pa×s	478.95	Calculated Property
η	0.0004137	Pa×s	506.85	Calculated Property
η	0.0003104	Pa×s	534.74	Calculated Property
η	0.0002396	Pa×s	562.64	Calculated Property
η	0.0001895	Pa×s	590.54	Calculated Property
η	0.0001531	Pa×s	618.44	Calculated Property
η	0.0001260	Pa×s	646.33	Calculated Property
η	0.0001054	Pa×s	674.23	Calculated Property
η	0.0000894	Pa×s	702.13	Calculated Property
η	0.0000768	Pa×s	730.03	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,4-dimethylphenyl propyl ester.

Sources

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

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