Chemical Properties of Succinic acid, 3-methylbut-2-yl 2-methylphenyl ester

InChI

InChI=1S/C16H22O4/c1-11(2)13(4)19-15(17)9-10-16(18)20-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3

InChI Key

MAIYEYWINOTYDP-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

Cc1ccccc1OC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

278.34

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.54	kJ/mol	Joback Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
logPoct/wat	3.268		Crippen Calculated Property
McVol	227.420	ml/mol	McGowan Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	584.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[322.24; 740.51]	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			1.61920e+01
Coefficient B			1.28768e+00
Coefficient C			-6.27960e-04
Coefficient D			6.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.24	J/mol×K	273.00	Calculated Property
Cp,gas	396.01	J/mol×K	353.78	Calculated Property
Cp,gas	462.48	J/mol×K	434.56	Calculated Property
Cp,gas	521.85	J/mol×K	515.33	Calculated Property
Cp,gas	574.33	J/mol×K	596.11	Calculated Property
Cp,gas	620.13	J/mol×K	676.89	Calculated Property
Cp,gas	659.44	J/mol×K	757.67	Calculated Property
Cp,gas	692.47	J/mol×K	838.44	Calculated Property
Cp,gas	719.42	J/mol×K	919.22	Calculated Property
Cp,gas	740.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022635; 0.0000958]	Pa×s	[363.68; 641.72]	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			-1.33891e+01
Coefficient B			2.65424e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			363.68
Temperature range, max.			641.72
η	0.0022635	Pa×s	363.68	Calculated Property
η	0.0012782	Pa×s	394.57	Calculated Property
η	0.0007843	Pa×s	425.47	Calculated Property
η	0.0005141	Pa×s	456.36	Calculated Property
η	0.0003556	Pa×s	487.25	Calculated Property
η	0.0002570	Pa×s	518.15	Calculated Property
η	0.0001926	Pa×s	549.04	Calculated Property
η	0.0001489	Pa×s	579.94	Calculated Property
η	0.0001181	Pa×s	610.83	Calculated Property
η	0.0000958	Pa×s	641.72	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2-methylphenyl 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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