Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl undecyl ester

InChI

InChI=1S/C21H37ClO4/c1-2-3-4-5-6-7-8-9-12-16-25-20(23)18-13-10-11-14-19(18)21(24)26-17-15-22/h18-19H,2-17H2,1H3

InChI Key

DXMZDAHEIVWOBD-UHFFFAOYSA-N

Formula

C21H37ClO4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

388.98

• 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_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	-1056.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.82	kJ/mol	Joback Calculated Property
ΔvapH°	108.06	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.11		Relay (1.0) Calculated Property
logPoct/wat	5.649		Crippen Calculated Property
McVol	323.010	ml/mol	McGowan Calculated Property
Pc	1105.94	kPa	Joback Calculated Property
Inp	[2675.00; 2675.00]
Inp	2675.00		NIST
Inp	2675.00		NIST
Tboil	644.26	K	Relay (1.0) Calculated Property
Tc	865.44	K	Relay (1.0) Calculated Property
Tfus	313.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1062.09; 1149.37]	J/mol×K	[884.77; 1087.55]
Cp,gas	1062.09	J/mol×K	884.77	Joback Calculated Property
Cp,gas	1080.14	J/mol×K	918.57	Joback Calculated Property
Cp,gas	1096.75	J/mol×K	952.36	Joback Calculated Property
Cp,gas	1111.95	J/mol×K	986.16	Joback Calculated Property
Cp,gas	1125.78	J/mol×K	1019.96	Joback Calculated Property
Cp,gas	1138.24	J/mol×K	1053.75	Joback Calculated Property
Cp,gas	1149.37	J/mol×K	1087.55	Joback Calculated Property
η	[0.0000528; 0.0007293]	Pa×s	[503.81; 884.77]
η	0.0007293	Pa×s	503.81	Joback Calculated Property
η	0.0003686	Pa×s	567.30	Joback Calculated Property
η	0.0002137	Pa×s	630.80	Joback Calculated Property
η	0.0001369	Pa×s	694.29	Joback Calculated Property
η	0.0000945	Pa×s	757.78	Joback Calculated Property
η	0.0000691	Pa×s	821.28	Joback Calculated Property
η	0.0000528	Pa×s	884.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl 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.