Chemical Properties of Glutaric acid, 2-chlorophenyl undecyl ester

InChI

InChI=1S/C22H33ClO4/c1-2-3-4-5-6-7-8-9-12-18-26-21(24)16-13-17-22(25)27-20-15-11-10-14-19(20)23/h10-11,14-15H,2-9,12-13,16-18H2,1H3

InChI Key

CFHZBBZTVQRATQ-UHFFFAOYSA-N

Formula

C22H33ClO4

SMILES

CCCCCCCCCCCOC(=O)CCCC(=O)Oc1ccccc1Cl

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).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-902.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.16	kJ/mol	Joback Calculated Property
ΔvapH°	114.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-6.43		Relay (1.0) Calculated Property
logPoct/wat	6.490		Crippen Calculated Property
McVol	324.200	ml/mol	McGowan Calculated Property
Pc	1142.12	kPa	Joback Calculated Property
Inp	[2904.00; 2904.00]
Inp	2904.00		NIST
Inp	2904.00		NIST
Tboil	650.36	K	Relay (1.0) Calculated Property
Tc	869.92	K	Relay (1.0) Calculated Property
Tfus	309.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1024.36; 1098.50]	J/mol×K	[924.43; 1134.12]
Cp,gas	1024.36	J/mol×K	924.43	Joback Calculated Property
Cp,gas	1039.76	J/mol×K	959.38	Joback Calculated Property
Cp,gas	1053.89	J/mol×K	994.33	Joback Calculated Property
Cp,gas	1066.80	J/mol×K	1029.27	Joback Calculated Property
Cp,gas	1078.52	J/mol×K	1064.22	Joback Calculated Property
Cp,gas	1089.07	J/mol×K	1099.17	Joback Calculated Property
Cp,gas	1098.50	J/mol×K	1134.12	Joback Calculated Property
η	[0.0000352; 0.0003880]	Pa×s	[550.88; 924.43]
η	0.0003880	Pa×s	550.88	Joback Calculated Property
η	0.0002123	Pa×s	613.14	Joback Calculated Property
η	0.0001298	Pa×s	675.40	Joback Calculated Property
η	0.0000862	Pa×s	737.65	Joback Calculated Property
η	0.0000611	Pa×s	799.91	Joback Calculated Property
η	0.0000454	Pa×s	862.17	Joback Calculated Property
η	0.0000352	Pa×s	924.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chlorophenyl undecyl 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.