Chemical Properties of Succinic acid, phenyl 3,4-dimethylphenyl ester

InChI

InChI=1S/C18H18O4/c1-13-8-9-16(12-14(13)2)22-18(20)11-10-17(19)21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3

InChI Key

PCZIYVOMKNMIOF-UHFFFAOYSA-N

Formula

C18H18O4

SMILES

Cc1ccc(OC(=O)CCC(=O)Oc2ccccc2)cc1C

Molecular Weight¹

298.34

• 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).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[310.59; 721.05]	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			-1.86800e+00
Coefficient B			1.32744e+00
Coefficient C			-6.94520e-04
Coefficient D			9.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.59	J/mol×K	273.00	Calculated Property
Cp,gas	384.81	J/mol×K	353.78	Calculated Property
Cp,gas	451.21	J/mol×K	434.56	Calculated Property
Cp,gas	510.08	J/mol×K	515.33	Calculated Property
Cp,gas	561.70	J/mol×K	596.11	Calculated Property
Cp,gas	606.36	J/mol×K	676.89	Calculated Property
Cp,gas	644.34	J/mol×K	757.67	Calculated Property
Cp,gas	675.92	J/mol×K	838.44	Calculated Property
Cp,gas	701.40	J/mol×K	919.22	Calculated Property
Cp,gas	721.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007466; 0.0000845]	Pa×s	[455.16; 712.06]	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			-1.32398e+01
Coefficient B			2.74908e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			455.16
Temperature range, max.			712.06
η	0.0007466	Pa×s	455.16	Calculated Property
η	0.0005228	Pa×s	483.70	Calculated Property
η	0.0003809	Pa×s	512.25	Calculated Property
η	0.0002869	Pa×s	540.79	Calculated Property
η	0.0002224	Pa×s	569.34	Calculated Property
η	0.0001766	Pa×s	597.88	Calculated Property
η	0.0001432	Pa×s	626.43	Calculated Property
η	0.0001183	Pa×s	654.97	Calculated Property
η	0.0000993	Pa×s	683.52	Calculated Property
η	0.0000845	Pa×s	712.06	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, phenyl 3,4-dimethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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