Chemical Properties of Glutaric acid, 8-chlorooctyl 4-chlorobenzyl ester

InChI

InChI=1S/C20H28Cl2O4/c21-14-5-3-1-2-4-6-15-25-19(23)8-7-9-20(24)26-16-17-10-12-18(22)13-11-17/h10-13H,1-9,14-16H2

InChI Key

XUGNKPYEOIYCCD-UHFFFAOYSA-N

Formula

C20H28Cl2O4

SMILES

O=C(CCCC(=O)OCc1ccc(Cl)cc1)OCCCCCCCCCl

Molecular Weight¹

403.34

• 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	-861.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.34	kJ/mol	Joback Calculated Property
ΔvapH°	118.72	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.676		Crippen Calculated Property
McVol	308.260	ml/mol	McGowan Calculated Property
Inp	[3049.00; 3049.00]
Inp	3049.00		NIST
Inp	3049.00		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	[434.54; 962.34]	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			4.17020e+01
Coefficient B			1.66940e+00
Coefficient C			-8.79960e-04
Coefficient D			1.31200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	434.54	J/mol×K	273.00	Calculated Property
Cp,gas	527.97	J/mol×K	353.78	Calculated Property
Cp,gas	611.75	J/mol×K	434.56	Calculated Property
Cp,gas	686.27	J/mol×K	515.33	Calculated Property
Cp,gas	751.95	J/mol×K	596.11	Calculated Property
Cp,gas	809.21	J/mol×K	676.89	Calculated Property
Cp,gas	858.47	J/mol×K	757.67	Calculated Property
Cp,gas	900.13	J/mol×K	838.44	Calculated Property
Cp,gas	934.62	J/mol×K	919.22	Calculated Property
Cp,gas	962.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005422; 0.0000558]	Pa×s	[498.60; 759.82]	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			-1.41342e+01
Coefficient B			3.29788e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			498.60
Temperature range, max.			759.82
η	0.0005422	Pa×s	498.60	Calculated Property
η	0.0003768	Pa×s	527.62	Calculated Property
η	0.0002720	Pa×s	556.65	Calculated Property
η	0.0002028	Pa×s	585.67	Calculated Property
η	0.0001555	Pa×s	614.70	Calculated Property
η	0.0001220	Pa×s	643.72	Calculated Property
η	0.0000978	Pa×s	672.75	Calculated Property
η	0.0000799	Pa×s	701.77	Calculated Property
η	0.0000663	Pa×s	730.80	Calculated Property
η	0.0000558	Pa×s	759.82	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-chlorobenzyl 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.