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

InChI

InChI=1S/C16H21ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-14-11-12(2)6-7-13(14)17/h6-7,11H,3-5,8-10H2,1-2H3

InChI Key

IUWYPTXLJXGPRL-UHFFFAOYSA-N

Formula

C16H21ClO4

SMILES

CCCCCOC(=O)CCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

312.79

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

Physical Properties

Cheméo can also estimate Critical Pressure, 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	[338.83; 744.67]	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			4.67460e+01
Coefficient B			1.22314e+00
Coefficient C			-5.74920e-04
Coefficient D			4.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.83	J/mol×K	273.00	Calculated Property
Cp,gas	409.71	J/mol×K	353.78	Calculated Property
Cp,gas	473.78	J/mol×K	434.56	Calculated Property
Cp,gas	531.19	J/mol×K	515.33	Calculated Property
Cp,gas	582.10	J/mol×K	596.11	Calculated Property
Cp,gas	626.67	J/mol×K	676.89	Calculated Property
Cp,gas	665.06	J/mol×K	757.67	Calculated Property
Cp,gas	697.41	J/mol×K	838.44	Calculated Property
Cp,gas	723.90	J/mol×K	919.22	Calculated Property
Cp,gas	744.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008969; 0.0001029]	Pa×s	[436.12; 670.88]	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			-1.32045e+01
Coefficient B			2.69866e+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.			436.12
Temperature range, max.			670.88
η	0.0008969	Pa×s	436.12	Calculated Property
η	0.0006325	Pa×s	462.20	Calculated Property
η	0.0004630	Pa×s	488.29	Calculated Property
η	0.0003499	Pa×s	514.37	Calculated Property
η	0.0002716	Pa×s	540.46	Calculated Property
η	0.0002158	Pa×s	566.54	Calculated Property
η	0.0001750	Pa×s	592.62	Calculated Property
η	0.0001444	Pa×s	618.71	Calculated Property
η	0.0001211	Pa×s	644.79	Calculated Property
η	0.0001029	Pa×s	670.88	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-5-methylphenyl pentyl 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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