Chemical Properties of Succinic acid, 2-chloro-5-methylphenyl isobutyl ester

InChI

InChI=1S/C15H19ClO4/c1-10(2)9-19-14(17)6-7-15(18)20-13-8-11(3)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3

InChI Key

YJIHCONBWLXHOU-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

Cc1ccc(Cl)c(OC(=O)CCC(=O)OCC(C)C)c1

Molecular Weight¹

298.77

• 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).
• 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, 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	[317.30; 693.61]	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			4.59730e+01
Coefficient B			1.13406e+00
Coefficient C			-5.23720e-04
Coefficient D			3.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.30	J/mol×K	273.00	Calculated Property
Cp,gas	383.28	J/mol×K	353.78	Calculated Property
Cp,gas	442.95	J/mol×K	434.56	Calculated Property
Cp,gas	496.41	J/mol×K	515.33	Calculated Property
Cp,gas	543.80	J/mol×K	596.11	Calculated Property
Cp,gas	585.22	J/mol×K	676.89	Calculated Property
Cp,gas	620.79	J/mol×K	757.67	Calculated Property
Cp,gas	650.64	J/mol×K	838.44	Calculated Property
Cp,gas	674.87	J/mol×K	919.22	Calculated Property
Cp,gas	693.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011847; 0.0001041]	Pa×s	[409.85; 658.04]	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			-1.31853e+01
Coefficient B			2.64232e+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.			409.85
Temperature range, max.			658.04
η	0.0011847	Pa×s	409.85	Calculated Property
η	0.0007890	Pa×s	437.43	Calculated Property
η	0.0005514	Pa×s	465.00	Calculated Property
η	0.0004012	Pa×s	492.58	Calculated Property
η	0.0003019	Pa×s	520.16	Calculated Property
η	0.0002337	Pa×s	547.74	Calculated Property
η	0.0001855	Pa×s	575.31	Calculated Property
η	0.0001503	Pa×s	602.89	Calculated Property
η	0.0001241	Pa×s	630.47	Calculated Property
η	0.0001041	Pa×s	658.04	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-5-methylphenyl isobutyl ester.

Sources

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

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