Chemical Properties of 2,4-Di-tert-butyl-6-chlorophenyl-2,2-dichloropropionate

InChI

InChI=1S/C17H23Cl3O2/c1-15(2,3)10-8-11(16(4,5)6)13(12(18)9-10)22-14(21)17(7,19)20/h8-9H,1-7H3

InChI Key

OCVAHCOREORPOF-UHFFFAOYSA-N

Formula

C17H23Cl3O2

SMILES

CC(Cl)(Cl)C(=O)Oc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C

Molecular Weight¹

365.73

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[368.68; 806.05]	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			-1.29100e+01
Coefficient B			1.70454e+00
Coefficient C			-1.21308e-03
Coefficient D			3.27500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.68	J/mol×K	273.00	Calculated Property
Cp,gas	452.79	J/mol×K	353.78	Calculated Property
Cp,gas	525.61	J/mol×K	434.56	Calculated Property
Cp,gas	588.16	J/mol×K	515.33	Calculated Property
Cp,gas	641.49	J/mol×K	596.11	Calculated Property
Cp,gas	686.64	J/mol×K	676.89	Calculated Property
Cp,gas	724.63	J/mol×K	757.67	Calculated Property
Cp,gas	756.50	J/mol×K	838.44	Calculated Property
Cp,gas	783.30	J/mol×K	919.22	Calculated Property
Cp,gas	806.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005378; 0.0000549]	Pa×s	[484.68; 716.77]	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			-1.45761e+01
Coefficient B			3.41610e+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.			484.68
Temperature range, max.			716.77
η	0.0005378	Pa×s	484.68	Calculated Property
η	0.0003767	Pa×s	510.47	Calculated Property
η	0.0002731	Pa×s	536.25	Calculated Property
η	0.0002039	Pa×s	562.04	Calculated Property
η	0.0001561	Pa×s	587.83	Calculated Property
η	0.0001223	Pa×s	613.62	Calculated Property
η	0.0000977	Pa×s	639.40	Calculated Property
η	0.0000794	Pa×s	665.19	Calculated Property
η	0.0000656	Pa×s	690.98	Calculated Property
η	0.0000549	Pa×s	716.77	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Di-tert-butyl-6-chlorophenyl-2,2-dichloropropionate.

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

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