Chemical Properties of Succinic acid, 2,3-dimethylphenyl isobutyl ester

InChI

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

InChI Key

LRNXBYPGZPCXKY-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

Cc1cccc(OC(=O)CCC(=O)OCC(C)C)c1C

Molecular Weight¹

278.34

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[325.11; 736.93]	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			3.21730e+01
Coefficient B			1.22228e+00
Coefficient C			-5.57720e-04
Coefficient D			4.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.11	J/mol×K	273.00	Calculated Property
Cp,gas	396.56	J/mol×K	353.78	Calculated Property
Cp,gas	461.30	J/mol×K	434.56	Calculated Property
Cp,gas	519.44	J/mol×K	515.33	Calculated Property
Cp,gas	571.12	J/mol×K	596.11	Calculated Property
Cp,gas	616.45	J/mol×K	676.89	Calculated Property
Cp,gas	655.57	J/mol×K	757.67	Calculated Property
Cp,gas	688.61	J/mol×K	838.44	Calculated Property
Cp,gas	715.69	J/mol×K	919.22	Calculated Property
Cp,gas	736.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013550; 0.0001034]	Pa×s	[391.20; 643.84]	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			-1.31611e+01
Coefficient B			2.56516e+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.			391.20
Temperature range, max.			643.84
η	0.0013550	Pa×s	391.20	Calculated Property
η	0.0008735	Pa×s	419.27	Calculated Property
η	0.0005950	Pa×s	447.34	Calculated Property
η	0.0004241	Pa×s	475.41	Calculated Property
η	0.0003139	Pa×s	503.49	Calculated Property
η	0.0002399	Pa×s	531.56	Calculated Property
η	0.0001883	Pa×s	559.63	Calculated Property
η	0.0001513	Pa×s	587.70	Calculated Property
η	0.0001240	Pa×s	615.77	Calculated Property
η	0.0001034	Pa×s	643.84	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dimethylphenyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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