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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.61; 741.99]	J/mol×K	[658.00; 851.78]
Cp,gas	641.61	J/mol×K	658.00	Joback Calculated Property
Cp,gas	661.03	J/mol×K	690.30	Joback Calculated Property
Cp,gas	679.34	J/mol×K	722.59	Joback Calculated Property
Cp,gas	696.56	J/mol×K	754.89	Joback Calculated Property
Cp,gas	712.73	J/mol×K	787.19	Joback Calculated Property
Cp,gas	727.86	J/mol×K	819.49	Joback Calculated Property
Cp,gas	741.99	J/mol×K	851.78	Joback Calculated Property
η	[0.0001189; 0.0037673]	Pa×s	[338.44; 658.00]
η	0.0037673	Pa×s	338.44	Joback Calculated Property
η	0.0014317	Pa×s	391.70	Joback Calculated Property
η	0.0006859	Pa×s	444.96	Joback Calculated Property
η	0.0003846	Pa×s	498.22	Joback Calculated Property
η	0.0002411	Pa×s	551.48	Joback Calculated Property
η	0.0001642	Pa×s	604.74	Joback Calculated Property
η	0.0001189	Pa×s	658.00	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.