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

InChI

InChI=1S/C21H27Cl3O4/c1-2-3-4-5-8-11-27-20(25)15-9-6-7-10-16(15)21(26)28-19-17(23)12-14(22)13-18(19)24/h12-13,15-16H,2-11H2,1H3

InChI Key

PYCLWTBLKRIINA-UHFFFAOYSA-N

Formula

C21H27Cl3O4

SMILES

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

Molecular Weight¹

449.80

• 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°	57.25	kJ/mol	Joback Calculated Property
logPoct/wat	6.872		Crippen Calculated Property
McVol	323.730	ml/mol	McGowan Calculated Property
Inp	[2979.00; 2979.00]
Inp	2979.00		NIST
Inp	2979.00		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	[438.40; 1007.86]	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			2.26160e+01
Coefficient B			1.74782e+00
Coefficient C			-8.46280e-04
Coefficient D			8.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	438.40	J/mol×K	273.00	Calculated Property
Cp,gas	538.74	J/mol×K	353.78	Calculated Property
Cp,gas	629.20	J/mol×K	434.56	Calculated Property
Cp,gas	710.04	J/mol×K	515.33	Calculated Property
Cp,gas	781.52	J/mol×K	596.11	Calculated Property
Cp,gas	843.91	J/mol×K	676.89	Calculated Property
Cp,gas	897.47	J/mol×K	757.67	Calculated Property
Cp,gas	942.47	J/mol×K	838.44	Calculated Property
Cp,gas	979.18	J/mol×K	919.22	Calculated Property
Cp,gas	1007.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003526; 0.0000537]	Pa×s	[567.97; 835.42]	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			-1.38262e+01
Coefficient B			3.33742e+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.			567.97
Temperature range, max.			835.42
η	0.0003526	Pa×s	567.97	Calculated Property
η	0.0002633	Pa×s	597.69	Calculated Property
η	0.0002021	Pa×s	627.40	Calculated Property
η	0.0001589	Pa×s	657.12	Calculated Property
η	0.0001275	Pa×s	686.84	Calculated Property
η	0.0001043	Pa×s	716.56	Calculated Property
η	0.0000866	Pa×s	746.27	Calculated Property
η	0.0000730	Pa×s	775.99	Calculated Property
η	0.0000623	Pa×s	805.71	Calculated Property
η	0.0000537	Pa×s	835.42	Calculated Property

Similar Compounds

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