Chemical Properties of Succinic acid, 2-methylphenyl 3,4-dimethylphenyl ester

InChI

InChI=1S/C19H20O4/c1-13-8-9-16(12-15(13)3)22-18(20)10-11-19(21)23-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3

InChI Key

SMENWLGVPUZVDR-UHFFFAOYSA-N

Formula

C19H20O4

SMILES

Cc1ccc(OC(=O)CCC(=O)Oc2ccccc2C)cc1C

Molecular Weight¹

312.36

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	40.62	kJ/mol	Joback Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
logPoct/wat	3.903		Crippen Calculated Property
McVol	245.930	ml/mol	McGowan Calculated Property
Inp	[2574.00; 2574.00]
Inp	2574.00		NIST
Inp	2574.00		NIST
Tboil	640.23	K	Relay (1.0) Calculated Property
Tfus	342.92	K	Relay (1.0) Calculated Property

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, Log10 of Water solubility in mol/l 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 Succinic acid, 2-methylphenyl 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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