Chemical Properties of Glutaric acid, 8-chlorooctyl 2-methoxyphenyl ester

InChI

InChI=1S/C20H29ClO5/c1-24-17-11-6-7-12-18(17)26-20(23)14-10-13-19(22)25-16-9-5-3-2-4-8-15-21/h6-7,11-12H,2-5,8-10,13-16H2,1H3

InChI Key

KLGUZBZBHBPHNK-UHFFFAOYSA-N

Formula

C20H29ClO5

SMILES

COc1ccccc1OC(=O)CCCC(=O)OCCCCCCCCCl

Molecular Weight¹

384.89

• 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	-972.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.33	kJ/mol	Joback Calculated Property
ΔvapH°	115.05	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	301.890	ml/mol	McGowan Calculated Property
Inp	[2921.00; 2921.00]
Inp	2921.00		NIST
Inp	2921.00		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	[436.53; 972.57]	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			5.43110e+01
Coefficient B			1.59942e+00
Coefficient C			-7.48560e-04
Coefficient D			6.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	436.53	J/mol×K	273.00	Calculated Property
Cp,gas	529.45	J/mol×K	353.78	Calculated Property
Cp,gas	613.52	J/mol×K	434.56	Calculated Property
Cp,gas	688.98	J/mol×K	515.33	Calculated Property
Cp,gas	756.02	J/mol×K	596.11	Calculated Property
Cp,gas	814.87	J/mol×K	676.89	Calculated Property
Cp,gas	865.74	J/mol×K	757.67	Calculated Property
Cp,gas	908.83	J/mol×K	838.44	Calculated Property
Cp,gas	944.37	J/mol×K	919.22	Calculated Property
Cp,gas	972.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004735; 0.0000491]	Pa×s	[490.91; 746.65]	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			-1.42730e+01
Coefficient B			3.24865e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			490.91
Temperature range, max.			746.65
η	0.0004735	Pa×s	490.91	Calculated Property
η	0.0003296	Pa×s	519.33	Calculated Property
η	0.0002383	Pa×s	547.74	Calculated Property
η	0.0001779	Pa×s	576.16	Calculated Property
η	0.0001364	Pa×s	604.57	Calculated Property
η	0.0001072	Pa×s	632.99	Calculated Property
η	0.0000860	Pa×s	661.41	Calculated Property
η	0.0000702	Pa×s	689.82	Calculated Property
η	0.0000583	Pa×s	718.24	Calculated Property
η	0.0000491	Pa×s	746.65	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 2-methoxyphenyl 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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