Chemical Properties of Glutaric acid, 2-(3-chlorophenyl)ethyl nonyl ester

InChI

InChI=1S/C22H33ClO4/c1-2-3-4-5-6-7-8-16-26-21(24)13-10-14-22(25)27-17-15-19-11-9-12-20(23)18-19/h9,11-12,18H,2-8,10,13-17H2,1H3

InChI Key

OZTICIISEGNGMR-UHFFFAOYSA-N

Formula

C22H33ClO4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OCCc1cccc(Cl)c1

Molecular Weight¹

396.95

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[463.56; 1057.25]	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			2.69930e+01
Coefficient B			1.85262e+00
Coefficient C			-9.68360e-04
Coefficient D			1.46000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	463.56	J/mol×K	273.00	Calculated Property
Cp,gas	567.67	J/mol×K	353.78	Calculated Property
Cp,gas	661.18	J/mol×K	434.56	Calculated Property
Cp,gas	744.52	J/mol×K	515.33	Calculated Property
Cp,gas	818.18	J/mol×K	596.11	Calculated Property
Cp,gas	882.61	J/mol×K	676.89	Calculated Property
Cp,gas	938.27	J/mol×K	757.67	Calculated Property
Cp,gas	985.62	J/mol×K	838.44	Calculated Property
Cp,gas	1025.13	J/mol×K	919.22	Calculated Property
Cp,gas	1057.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005498; 0.0000493]	Pa×s	[491.22; 764.22]	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			-1.42542e+01
Coefficient B			3.31488e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			491.22
Temperature range, max.			764.22
η	0.0005498	Pa×s	491.22	Calculated Property
η	0.0003713	Pa×s	521.55	Calculated Property
η	0.0002619	Pa×s	551.89	Calculated Property
η	0.0001915	Pa×s	582.22	Calculated Property
η	0.0001444	Pa×s	612.55	Calculated Property
η	0.0001119	Pa×s	642.89	Calculated Property
η	0.0000887	Pa×s	673.22	Calculated Property
η	0.0000717	Pa×s	703.55	Calculated Property
η	0.0000590	Pa×s	733.89	Calculated Property
η	0.0000493	Pa×s	764.22	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(3-chlorophenyl)ethyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• 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.