Chemical Properties of 6-Chloro-2,4-diisopropyl phenol

InChI

InChI=1S/C12H17ClO/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-8,14H,1-4H3

InChI Key

SVBPZUZWTSMLKY-UHFFFAOYSA-N

Formula

C12H17ClO

SMILES

CC(C)c1cc(Cl)c(O)c(C(C)C)c1

Molecular Weight¹

212.72

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[237.56; 545.58]	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			-1.27200e+01
Coefficient B			1.11918e+00
Coefficient C			-8.09280e-04
Coefficient D			2.48400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.56	J/mol×K	273.00	Calculated Property
Cp,gas	292.93	J/mol×K	353.78	Calculated Property
Cp,gas	341.19	J/mol×K	434.56	Calculated Property
Cp,gas	383.11	J/mol×K	515.33	Calculated Property
Cp,gas	419.48	J/mol×K	596.11	Calculated Property
Cp,gas	451.08	J/mol×K	676.89	Calculated Property
Cp,gas	478.71	J/mol×K	757.67	Calculated Property
Cp,gas	503.15	J/mol×K	838.44	Calculated Property
Cp,gas	525.17	J/mol×K	919.22	Calculated Property
Cp,gas	545.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013825; 0.0000331]	Pa×s	[388.10; 597.69]	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			-1.72280e+01
Coefficient B			4.13100e+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.			388.10
Temperature range, max.			597.69
η	0.0013825	Pa×s	388.10	Calculated Property
η	0.0007568	Pa×s	411.39	Calculated Property
η	0.0004419	Pa×s	434.67	Calculated Property
η	0.0002726	Pa×s	457.96	Calculated Property
η	0.0001762	Pa×s	481.25	Calculated Property
η	0.0001185	Pa×s	504.54	Calculated Property
η	0.0000826	Pa×s	527.82	Calculated Property
η	0.0000593	Pa×s	551.11	Calculated Property
η	0.0000438	Pa×s	574.40	Calculated Property
η	0.0000331	Pa×s	597.69	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chloro-2,4-diisopropyl phenol.

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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