Chemical Properties of Glutaric acid, (cyclohex-3-enyl)methyl 8-chlorooctyl ester

InChI

InChI=1S/C20H33ClO4/c21-15-8-3-1-2-4-9-16-24-19(22)13-10-14-20(23)25-17-18-11-6-5-7-12-18/h5-6,18H,1-4,7-17H2

InChI Key

UUJAQSUDWFRZOV-UHFFFAOYSA-N

Formula

C20H33ClO4

SMILES

O=C(CCCC(=O)OCC1CC=CCC1)OCCCCCCCCCl

Molecular Weight¹

372.93

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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
ΔfH°gas	-967.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.55	kJ/mol	Joback Calculated Property
ΔvapH°	110.10	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.179		Crippen Calculated Property
McVol	304.620	ml/mol	McGowan Calculated Property
Inp	[2808.00; 2808.00]
Inp	2808.00		NIST
Inp	2808.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[431.24; 1029.41]	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			-9.40800e+00
Coefficient B			1.86710e+00
Coefficient C			-9.63680e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	431.24	J/mol×K	273.00	Calculated Property
Cp,gas	536.51	J/mol×K	353.78	Calculated Property
Cp,gas	631.08	J/mol×K	434.56	Calculated Property
Cp,gas	715.38	J/mol×K	515.33	Calculated Property
Cp,gas	789.83	J/mol×K	596.11	Calculated Property
Cp,gas	854.87	J/mol×K	676.89	Calculated Property
Cp,gas	910.91	J/mol×K	757.67	Calculated Property
Cp,gas	958.40	J/mol×K	838.44	Calculated Property
Cp,gas	997.76	J/mol×K	919.22	Calculated Property
Cp,gas	1029.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012119; 0.0000716]	Pa×s	[437.88; 718.31]	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			-1.39616e+01
Coefficient B			3.17291e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			437.88
Temperature range, max.			718.31
η	0.0012119	Pa×s	437.88	Calculated Property
η	0.0007489	Pa×s	469.04	Calculated Property
η	0.0004914	Pa×s	500.20	Calculated Property
η	0.0003388	Pa×s	531.36	Calculated Property
η	0.0002434	Pa×s	562.51	Calculated Property
η	0.0001810	Pa×s	593.67	Calculated Property
η	0.0001386	Pa×s	624.83	Calculated Property
η	0.0001089	Pa×s	655.99	Calculated Property
η	0.0000875	Pa×s	687.15	Calculated Property
η	0.0000716	Pa×s	718.31	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (cyclohex-3-enyl)methyl 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.
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