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

InChI

InChI=1S/C22H39ClO4/c1-2-3-4-5-6-7-8-9-10-13-17-26-21(24)19-14-11-12-15-20(19)22(25)27-18-16-23/h19-20H,2-18H2,1H3

InChI Key

QDGLGTBGQBDRQZ-UHFFFAOYSA-N

Formula

C22H39ClO4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

403.00

• 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	-1075.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.58	kJ/mol	Joback Calculated Property
ΔvapH°	113.40	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.43		Relay (1.0) Calculated Property
logPoct/wat	6.039		Crippen Calculated Property
McVol	337.100	ml/mol	McGowan Calculated Property
Pc	985.78	kPa	Joback Calculated Property
Inp	[2777.00; 2777.00]
Inp	2777.00		NIST
Inp	2777.00		NIST
Tboil	650.86	K	Relay (1.0) Calculated Property
Tc	875.44	K	Relay (1.0) Calculated Property
Tfus	310.94	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	[1107.33; 1196.16]	J/mol×K	[871.71; 1070.71]
Cp,gas	1107.33	J/mol×K	871.71	Joback Calculated Property
Cp,gas	1125.81	J/mol×K	904.88	Joback Calculated Property
Cp,gas	1142.79	J/mol×K	938.04	Joback Calculated Property
Cp,gas	1158.28	J/mol×K	971.21	Joback Calculated Property
Cp,gas	1172.32	J/mol×K	1004.38	Joback Calculated Property
Cp,gas	1184.94	J/mol×K	1037.54	Joback Calculated Property
Cp,gas	1196.16	J/mol×K	1070.71	Joback Calculated Property
η	[0.0000349; 0.0010096]	Pa×s	[455.42; 871.71]
η	0.0010096	Pa×s	455.42	Joback Calculated Property
η	0.0003977	Pa×s	524.80	Joback Calculated Property
η	0.0001947	Pa×s	594.18	Joback Calculated Property
η	0.0001107	Pa×s	663.56	Joback Calculated Property
η	0.0000700	Pa×s	732.95	Joback Calculated Property
η	0.0000480	Pa×s	802.33	Joback Calculated Property
η	0.0000349	Pa×s	871.71	Joback Calculated Property

Similar Compounds

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