Chemical Properties of Succinic acid, 3,5-dimethylphenyl 4-isopropylphenyl ester

InChI

InChI=1S/C21H24O4/c1-14(2)17-5-7-18(8-6-17)24-20(22)9-10-21(23)25-19-12-15(3)11-16(4)13-19/h5-8,11-14H,9-10H2,1-4H3

InChI Key

GEDUNWXSQHKKHH-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

Cc1cc(C)cc(OC(=O)CCC(=O)Oc2ccc(C(C)C)cc2)c1

Molecular Weight¹

340.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[376.47; 873.32]	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			8.02200e+00
Coefficient B			1.55888e+00
Coefficient C			-7.93880e-04
Coefficient D			1.00300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	376.47	J/mol×K	273.00	Calculated Property
Cp,gas	464.60	J/mol×K	353.78	Calculated Property
Cp,gas	543.76	J/mol×K	434.56	Calculated Property
Cp,gas	614.26	J/mol×K	515.33	Calculated Property
Cp,gas	676.43	J/mol×K	596.11	Calculated Property
Cp,gas	730.58	J/mol×K	676.89	Calculated Property
Cp,gas	777.02	J/mol×K	757.67	Calculated Property
Cp,gas	816.09	J/mol×K	838.44	Calculated Property
Cp,gas	848.08	J/mol×K	919.22	Calculated Property
Cp,gas	873.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005309; 0.0000567]	Pa×s	[486.49; 760.84]	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			-1.37448e+01
Coefficient B			3.01812e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			486.49
Temperature range, max.			760.84
η	0.0005309	Pa×s	486.49	Calculated Property
η	0.0003682	Pa×s	516.97	Calculated Property
η	0.0002660	Pa×s	547.46	Calculated Property
η	0.0001989	Pa×s	577.94	Calculated Property
η	0.0001531	Pa×s	608.43	Calculated Property
η	0.0001209	Pa×s	638.91	Calculated Property
η	0.0000975	Pa×s	669.39	Calculated Property
η	0.0000801	Pa×s	699.88	Calculated Property
η	0.0000669	Pa×s	730.36	Calculated Property
η	0.0000567	Pa×s	760.84	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-dimethylphenyl 4-isopropylphenyl 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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