Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl trans-4-methylcyclohexyl ester

InChI

InChI=1S/C18H23ClO4/c1-12-3-5-14(6-4-12)22-17(20)9-10-18(21)23-15-7-8-16(19)13(2)11-15/h7-8,11-12,14H,3-6,9-10H2,1-2H3

InChI Key

YJONPWCLHGBIOL-UHFFFAOYSA-N

Formula

C18H23ClO4

SMILES

Cc1cc(OC(=O)CCC(=O)OC2CCC(C)CC2)ccc1Cl

Molecular Weight¹

338.83

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.48	kJ/mol	Joback Calculated Property
logPoct/wat	4.456		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[345.40; 839.58]	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			-1.47380e+01
Coefficient B			1.50874e+00
Coefficient C			-7.09320e-04
Coefficient D			5.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.40	J/mol×K	273.00	Calculated Property
Cp,gas	432.67	J/mol×K	353.78	Calculated Property
Cp,gas	511.45	J/mol×K	434.56	Calculated Property
Cp,gas	581.91	J/mol×K	515.33	Calculated Property
Cp,gas	644.21	J/mol×K	596.11	Calculated Property
Cp,gas	698.54	J/mol×K	676.89	Calculated Property
Cp,gas	745.07	J/mol×K	757.67	Calculated Property
Cp,gas	783.97	J/mol×K	838.44	Calculated Property
Cp,gas	815.42	J/mol×K	919.22	Calculated Property
Cp,gas	839.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008812; 0.0000987]	Pa×s	[461.80; 728.24]	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			-1.30185e+01
Coefficient B			2.76356e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			461.80
Temperature range, max.			728.24
η	0.0008812	Pa×s	461.80	Calculated Property
η	0.0006145	Pa×s	491.40	Calculated Property
η	0.0004464	Pa×s	521.01	Calculated Property
η	0.0003357	Pa×s	550.61	Calculated Property
η	0.0002598	Pa×s	580.22	Calculated Property
η	0.0002062	Pa×s	609.82	Calculated Property
η	0.0001672	Pa×s	639.42	Calculated Property
η	0.0001381	Pa×s	669.03	Calculated Property
η	0.0001159	Pa×s	698.63	Calculated Property
η	0.0000987	Pa×s	728.24	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl trans-4-methylcyclohexyl 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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