Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, octyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C22H29Cl3O4/c1-2-3-4-5-6-9-12-28-21(26)16-10-7-8-11-17(16)22(27)29-20-18(24)13-15(23)14-19(20)25/h13-14,16-17H,2-12H2,1H3

InChI Key

ODBKFGMQBCKILK-UHFFFAOYSA-N

Formula

C22H29Cl3O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

463.82

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.84	kJ/mol	Joback Calculated Property
logPoct/wat	7.262		Crippen Calculated Property
McVol	337.820	ml/mol	McGowan Calculated Property
Inp	[3087.00; 3087.00]
Inp	3087.00		NIST
Inp	3087.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[459.62; 1059.45]	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			2.17070e+01
Coefficient B			1.84282e+00
Coefficient C			-9.00680e-04
Coefficient D			9.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	459.62	J/mol×K	273.00	Calculated Property
Cp,gas	565.16	J/mol×K	353.78	Calculated Property
Cp,gas	660.28	J/mol×K	434.56	Calculated Property
Cp,gas	745.26	J/mol×K	515.33	Calculated Property
Cp,gas	820.43	J/mol×K	596.11	Calculated Property
Cp,gas	886.07	J/mol×K	676.89	Calculated Property
Cp,gas	942.49	J/mol×K	757.67	Calculated Property
Cp,gas	989.99	J/mol×K	838.44	Calculated Property
Cp,gas	1028.87	J/mol×K	919.22	Calculated Property
Cp,gas	1059.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003127; 0.0000469]	Pa×s	[579.24; 852.05]	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			-1.39945e+01
Coefficient B			3.43158e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			579.24
Temperature range, max.			852.05
η	0.0003127	Pa×s	579.24	Calculated Property
η	0.0002329	Pa×s	609.55	Calculated Property
η	0.0001784	Pa×s	639.86	Calculated Property
η	0.0001400	Pa×s	670.18	Calculated Property
η	0.0001122	Pa×s	700.49	Calculated Property
η	0.0000915	Pa×s	730.80	Calculated Property
η	0.0000759	Pa×s	761.11	Calculated Property
η	0.0000639	Pa×s	791.42	Calculated Property
η	0.0000544	Pa×s	821.73	Calculated Property
η	0.0000469	Pa×s	852.05	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, octyl 2,4,6-trichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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