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

InChI

InChI=1S/C18H21Cl3O4/c1-2-3-8-24-17(22)12-6-4-5-7-13(12)18(23)25-16-14(20)9-11(19)10-15(16)21/h9-10,12-13H,2-8H2,1H3

InChI Key

UYPZKMWMOWGLMA-UHFFFAOYSA-N

Formula

C18H21Cl3O4

SMILES

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

Molecular Weight¹

407.72

• 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°	49.48	kJ/mol	Joback Calculated Property
logPoct/wat	5.702		Crippen Calculated Property
McVol	281.460	ml/mol	McGowan Calculated Property
Inp	[2681.00; 2681.00]
Inp	2681.00		NIST
Inp	2681.00		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	[374.76; 853.08]	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			2.53430e+01
Coefficient B			1.46282e+00
Coefficient C			-6.83080e-04
Coefficient D			4.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.76	J/mol×K	273.00	Calculated Property
Cp,gas	459.49	J/mol×K	353.78	Calculated Property
Cp,gas	535.97	J/mol×K	434.56	Calculated Property
Cp,gas	604.35	J/mol×K	515.33	Calculated Property
Cp,gas	664.78	J/mol×K	596.11	Calculated Property
Cp,gas	717.42	J/mol×K	676.89	Calculated Property
Cp,gas	762.42	J/mol×K	757.67	Calculated Property
Cp,gas	799.93	J/mol×K	838.44	Calculated Property
Cp,gas	830.10	J/mol×K	919.22	Calculated Property
Cp,gas	853.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004963; 0.0000782]	Pa×s	[534.16; 789.03]	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			-1.33274e+01
Coefficient B			3.05494e+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.			534.16
Temperature range, max.			789.03
η	0.0004963	Pa×s	534.16	Calculated Property
η	0.0003722	Pa×s	562.48	Calculated Property
η	0.0002868	Pa×s	590.80	Calculated Property
η	0.0002264	Pa×s	619.12	Calculated Property
η	0.0001825	Pa×s	647.44	Calculated Property
η	0.0001497	Pa×s	675.76	Calculated Property
η	0.0001248	Pa×s	704.08	Calculated Property
η	0.0001056	Pa×s	732.40	Calculated Property
η	0.0000904	Pa×s	760.71	Calculated Property
η	0.0000782	Pa×s	789.03	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 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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