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

InChI

InChI=1S/C16H22O4/c1-4-5-11-19-15(17)9-10-16(18)20-14-8-6-7-12(2)13(14)3/h6-8H,4-5,9-11H2,1-3H3

InChI Key

XDNSKNTYSNSSFP-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

CCCCOC(=O)CCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

278.34

• ω : Acentric Factor.
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[325.42; 736.40]	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			3.38550e+01
Coefficient B			1.21636e+00
Coefficient C			-5.54520e-04
Coefficient D			4.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.42	J/mol×K	273.00	Calculated Property
Cp,gas	396.58	J/mol×K	353.78	Calculated Property
Cp,gas	461.06	J/mol×K	434.56	Calculated Property
Cp,gas	518.99	J/mol×K	515.33	Calculated Property
Cp,gas	570.51	J/mol×K	596.11	Calculated Property
Cp,gas	615.75	J/mol×K	676.89	Calculated Property
Cp,gas	654.83	J/mol×K	757.67	Calculated Property
Cp,gas	687.87	J/mol×K	838.44	Calculated Property
Cp,gas	715.02	J/mol×K	919.22	Calculated Property
Cp,gas	736.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011080; 0.0001127]	Pa×s	[406.20; 642.01]	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			-1.30271e+01
Coefficient B			2.52734e+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.			406.20
Temperature range, max.			642.01
η	0.0011080	Pa×s	406.20	Calculated Property
η	0.0007600	Pa×s	432.40	Calculated Property
η	0.0005442	Pa×s	458.60	Calculated Property
η	0.0004040	Pa×s	484.80	Calculated Property
η	0.0003093	Pa×s	511.00	Calculated Property
η	0.0002430	Pa×s	537.21	Calculated Property
η	0.0001952	Pa×s	563.41	Calculated Property
η	0.0001599	Pa×s	589.61	Calculated Property
η	0.0001333	Pa×s	615.81	Calculated Property
η	0.0001127	Pa×s	642.01	Calculated Property

Similar Compounds

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

Sources

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

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