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

InChI

InChI=1S/C20H22O4/c1-13-9-14(2)11-18(10-13)24-20(22)8-7-19(21)23-17-6-5-15(3)16(4)12-17/h5-6,9-12H,7-8H2,1-4H3

InChI Key

JMQFAKAKZBTIGP-UHFFFAOYSA-N

Formula

C20H22O4

SMILES

Cc1cc(C)cc(OC(=O)CCC(=O)Oc2ccc(C)c(C)c2)c1

Molecular Weight¹

326.39

• 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	[358.12; 818.15]	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			2.49120e+01
Coefficient B			1.39848e+00
Coefficient C			-6.69240e-04
Coefficient D			6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.12	J/mol×K	273.00	Calculated Property
Cp,gas	438.74	J/mol×K	353.78	Calculated Property
Cp,gas	511.50	J/mol×K	434.56	Calculated Property
Cp,gas	576.63	J/mol×K	515.33	Calculated Property
Cp,gas	634.31	J/mol×K	596.11	Calculated Property
Cp,gas	684.74	J/mol×K	676.89	Calculated Property
Cp,gas	728.15	J/mol×K	757.67	Calculated Property
Cp,gas	764.71	J/mol×K	838.44	Calculated Property
Cp,gas	794.65	J/mol×K	919.22	Calculated Property
Cp,gas	818.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004434; 0.0000696]	Pa×s	[502.74; 748.42]	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			-1.33599e+01
Coefficient B			2.83488e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			502.74
Temperature range, max.			748.42
η	0.0004434	Pa×s	502.74	Calculated Property
η	0.0003316	Pa×s	530.04	Calculated Property
η	0.0002552	Pa×s	557.34	Calculated Property
η	0.0002013	Pa×s	584.63	Calculated Property
η	0.0001621	Pa×s	611.93	Calculated Property
η	0.0001330	Pa×s	639.23	Calculated Property
η	0.0001109	Pa×s	666.53	Calculated Property
η	0.0000938	Pa×s	693.83	Calculated Property
η	0.0000804	Pa×s	721.12	Calculated Property
η	0.0000696	Pa×s	748.42	Calculated Property

Similar Compounds

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