Chemical Properties of Succinic acid, dec-2-yl (2-chlorocyclohexyl)methyl ester

InChI

InChI=1S/C21H37ClO4/c1-3-4-5-6-7-8-11-17(2)26-21(24)15-14-20(23)25-16-18-12-9-10-13-19(18)22/h17-19H,3-16H2,1-2H3

InChI Key

XREABIWDBIKIDO-UHFFFAOYSA-N

Formula

C21H37ClO4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)OCC1CCCCC1Cl

Molecular Weight¹

388.98

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.46	kJ/mol	Joback Calculated Property
logPoct/wat	5.790		Crippen Calculated Property
McVol	323.010	ml/mol	McGowan Calculated Property
Inp	[2725.00; 2725.00]
Inp	2725.00		NIST
Inp	2725.00		NIST
Tboil	656.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[460.88; 1119.50]	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			-1.38400e+01
Coefficient B			1.99754e+00
Coefficient C			-9.78600e-04
Coefficient D			1.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	460.88	J/mol×K	273.00	Calculated Property
Cp,gas	575.43	J/mol×K	353.78	Calculated Property
Cp,gas	678.79	J/mol×K	434.56	Calculated Property
Cp,gas	771.33	J/mol×K	515.33	Calculated Property
Cp,gas	853.40	J/mol×K	596.11	Calculated Property
Cp,gas	925.38	J/mol×K	676.89	Calculated Property
Cp,gas	987.61	J/mol×K	757.67	Calculated Property
Cp,gas	1040.47	J/mol×K	838.44	Calculated Property
Cp,gas	1084.31	J/mol×K	919.22	Calculated Property
Cp,gas	1119.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014039; 0.0000670]	Pa×s	[429.15; 732.50]	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			-1.39155e+01
Coefficient B			3.15296e+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.			429.15
Temperature range, max.			732.50
η	0.0014039	Pa×s	429.15	Calculated Property
η	0.0008222	Pa×s	462.86	Calculated Property
η	0.0005178	Pa×s	496.56	Calculated Property
η	0.0003459	Pa×s	530.27	Calculated Property
η	0.0002424	Pa×s	563.97	Calculated Property
η	0.0001769	Pa×s	597.68	Calculated Property
η	0.0001335	Pa×s	631.38	Calculated Property
η	0.0001036	Pa×s	665.09	Calculated Property
η	0.0000824	Pa×s	698.79	Calculated Property
η	0.0000670	Pa×s	732.50	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl (2-chlorocyclohexyl)methyl 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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