Chemical Properties of Phthalic acid, 2,3-dimethylphenyl propyl ester

InChI

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

InChI Key

YRKCGUQRZXGVQK-UHFFFAOYSA-N

Formula

C19H20O4

SMILES

CCCOC(=O)c1ccccc1C(=O)Oc1cccc(C)c1C

Molecular Weight¹

312.36

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[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
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 Phthalic acid, 2,3-dimethylphenyl propyl 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.