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

InChI

InChI=1S/C26H39ClO4/c1-2-3-4-5-6-7-8-9-10-15-20-30-25(28)21-16-11-12-17-22(21)26(29)31-24-19-14-13-18-23(24)27/h13-14,18-19,21-22H,2-12,15-17,20H2,1H3

InChI Key

SANGHKSWEYCKSW-UHFFFAOYSA-N

Formula

C26H39ClO4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1Cl

Molecular Weight¹

451.04

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.42	kJ/mol	Joback Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-7.37		Relay (1.0) Calculated Property
logPoct/wat	7.516		Crippen Calculated Property
McVol	369.700	ml/mol	McGowan Calculated Property
Pc	994.51	kPa	Joback Calculated Property
Inp	[3233.00; 3233.00]
Inp	3233.00		NIST
Inp	3233.00		NIST
Tboil	684.36	K	Relay (1.0) Calculated Property
Tfus	332.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[1267.65; 1331.84]	J/mol×K	[1030.83; 1262.35]
Cp,gas	1267.65	J/mol×K	1030.83	Joback Calculated Property
Cp,gas	1282.80	J/mol×K	1069.42	Joback Calculated Property
Cp,gas	1296.10	J/mol×K	1108.00	Joback Calculated Property
Cp,gas	1307.60	J/mol×K	1146.59	Joback Calculated Property
Cp,gas	1317.35	J/mol×K	1185.18	Joback Calculated Property
Cp,gas	1325.41	J/mol×K	1223.77	Joback Calculated Property
Cp,gas	1331.84	J/mol×K	1262.35	Joback Calculated Property
η	[0.0000265; 0.0003115]	Pa×s	[599.10; 1030.83]
η	0.0003115	Pa×s	599.10	Joback Calculated Property
η	0.0001657	Pa×s	671.06	Joback Calculated Property
η	0.0000996	Pa×s	743.01	Joback Calculated Property
η	0.0000655	Pa×s	814.96	Joback Calculated Property
η	0.0000461	Pa×s	886.92	Joback Calculated Property
η	0.0000342	Pa×s	958.88	Joback Calculated Property
η	0.0000265	Pa×s	1030.83	Joback Calculated Property

Similar Compounds

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