Chemical Properties of Succinic acid, cyclohexylmethyl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C18H23ClO5/c1-22-16-11-14(19)7-8-15(16)24-18(21)10-9-17(20)23-12-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3

InChI Key

YIHMJNJJADKHRM-UHFFFAOYSA-N

Formula

C18H23ClO5

SMILES

COc1cc(Cl)ccc1OC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

354.82

• 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°	41.60	kJ/mol	Joback Calculated Property
logPoct/wat	4.158		Crippen Calculated Property
McVol	262.850	ml/mol	McGowan Calculated Property
Inp	[2680.00; 2680.00]
Inp	2680.00		NIST
Inp	2680.00		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	[358.54; 851.42]	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			4.82300e+00
Coefficient B			1.47202e+00
Coefficient C			-6.53720e-04
Coefficient D			2.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.54	J/mol×K	273.00	Calculated Property
Cp,gas	445.03	J/mol×K	353.78	Calculated Property
Cp,gas	523.37	J/mol×K	434.56	Calculated Property
Cp,gas	593.67	J/mol×K	515.33	Calculated Property
Cp,gas	656.01	J/mol×K	596.11	Calculated Property
Cp,gas	710.47	J/mol×K	676.89	Calculated Property
Cp,gas	757.16	J/mol×K	757.67	Calculated Property
Cp,gas	796.15	J/mol×K	838.44	Calculated Property
Cp,gas	827.54	J/mol×K	919.22	Calculated Property
Cp,gas	851.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005699; 0.0000620]	Pa×s	[488.27; 746.19]	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			-1.38874e+01
Coefficient B			3.13334e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			488.27
Temperature range, max.			746.19
η	0.0005699	Pa×s	488.27	Calculated Property
η	0.0003993	Pa×s	516.93	Calculated Property
η	0.0002904	Pa×s	545.58	Calculated Property
η	0.0002180	Pa×s	574.24	Calculated Property
η	0.0001682	Pa×s	602.90	Calculated Property
η	0.0001329	Pa×s	631.56	Calculated Property
η	0.0001071	Pa×s	660.21	Calculated Property
η	0.0000879	Pa×s	688.87	Calculated Property
η	0.0000733	Pa×s	717.53	Calculated Property
η	0.0000620	Pa×s	746.19	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 4-chloro-2-methoxyphenyl 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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