Chemical Properties of Cyclohexanecarboxylic acid, 8-chlorooctyl ester

InChI

InChI=1S/C15H27ClO2/c16-12-8-3-1-2-4-9-13-18-15(17)14-10-6-5-7-11-14/h14H,1-13H2

InChI Key

TULIAZPVULJXOF-UHFFFAOYSA-N

Formula

C15H27ClO2

SMILES

O=C(OCCCCCCCCCl)C1CCCCC1

Molecular Weight¹

274.83

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.01	kJ/mol	Joback Calculated Property
logPoct/wat	4.689		Crippen Calculated Property
McVol	231.030	ml/mol	McGowan Calculated Property
Inp	[2102.00; 2102.00]
Inp	2102.00		NIST
Inp	2102.00		NIST
Tboil	593.24	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	[315.31; 794.65]	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			-3.80520e+01
Coefficient B			1.50290e+00
Coefficient C			-7.99000e-04
Coefficient D			1.28800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.31	J/mol×K	273.00	Calculated Property
Cp,gas	399.34	J/mol×K	353.78	Calculated Property
Cp,gas	474.73	J/mol×K	434.56	Calculated Property
Cp,gas	541.88	J/mol×K	515.33	Calculated Property
Cp,gas	601.20	J/mol×K	596.11	Calculated Property
Cp,gas	653.11	J/mol×K	676.89	Calculated Property
Cp,gas	697.99	J/mol×K	757.67	Calculated Property
Cp,gas	736.27	J/mol×K	838.44	Calculated Property
Cp,gas	768.36	J/mol×K	919.22	Calculated Property
Cp,gas	794.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037673; 0.0001737]	Pa×s	[338.44; 596.25]	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			-1.26968e+01
Coefficient B			2.40815e+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.			338.44
Temperature range, max.			596.25
η	0.0037673	Pa×s	338.44	Calculated Property
η	0.0021622	Pa×s	367.09	Calculated Property
η	0.0013448	Pa×s	395.73	Calculated Property
η	0.0008918	Pa×s	424.38	Calculated Property
η	0.0006229	Pa×s	453.02	Calculated Property
η	0.0004541	Pa×s	481.67	Calculated Property
η	0.0003430	Pa×s	510.31	Calculated Property
η	0.0002669	Pa×s	538.96	Calculated Property
η	0.0002130	Pa×s	567.60	Calculated Property
η	0.0001737	Pa×s	596.25	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 8-chlorooctyl 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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