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

InChI

InChI=1S/C18H31ClO4/c1-3-4-5-8-14(2)23-18(21)12-11-17(20)22-13-15-9-6-7-10-16(15)19/h14-16H,3-13H2,1-2H3

InChI Key

YTQIMVBLULCHJJ-UHFFFAOYSA-N

Formula

C18H31ClO4

SMILES

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

Molecular Weight¹

346.89

• 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°	44.69	kJ/mol	Joback Calculated Property
logPoct/wat	4.619		Crippen Calculated Property
McVol	280.740	ml/mol	McGowan Calculated Property
Inp	[2410.00; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		NIST
Tboil	635.38	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	[397.24; 964.73]	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			-1.11130e+01
Coefficient B			1.71254e+00
Coefficient C			-8.15400e-04
Coefficient D			7.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.24	J/mol×K	273.00	Calculated Property
Cp,gas	496.18	J/mol×K	353.78	Calculated Property
Cp,gas	585.56	J/mol×K	434.56	Calculated Property
Cp,gas	665.64	J/mol×K	515.33	Calculated Property
Cp,gas	736.67	J/mol×K	596.11	Calculated Property
Cp,gas	798.90	J/mol×K	676.89	Calculated Property
Cp,gas	852.56	J/mol×K	757.67	Calculated Property
Cp,gas	897.93	J/mol×K	838.44	Calculated Property
Cp,gas	935.23	J/mol×K	919.22	Calculated Property
Cp,gas	964.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020867; 0.0000978]	Pa×s	[395.34; 683.38]	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			-1.34330e+01
Coefficient B			2.87048e+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.			395.34
Temperature range, max.			683.38
η	0.0020867	Pa×s	395.34	Calculated Property
η	0.0012114	Pa×s	427.34	Calculated Property
η	0.0007587	Pa×s	459.35	Calculated Property
η	0.0005050	Pa×s	491.35	Calculated Property
η	0.0003533	Pa×s	523.36	Calculated Property
η	0.0002575	Pa×s	555.36	Calculated Property
η	0.0001943	Pa×s	587.37	Calculated Property
η	0.0001510	Pa×s	619.37	Calculated Property
η	0.0001202	Pa×s	651.37	Calculated Property
η	0.0000978	Pa×s	683.38	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-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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