Chemical Properties of 2-(2,4-Ditert-butyl-6-chlorophenoxy)ethanol (CAS 116401-36-6)

InChI

InChI=1S/C16H25ClO2/c1-15(2,3)11-9-12(16(4,5)6)14(13(17)10-11)19-8-7-18/h9-10,18H,7-8H2,1-6H3

InChI Key

SRZIOMHHMBGULK-UHFFFAOYSA-N

Formula

C16H25ClO2

SMILES

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

Molecular Weight¹

284.82

CAS

116401-36-6

• 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).
• 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, Enthalpy of vaporization at standard conditions, 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	[333.69; 765.51]	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			-7.92800e+00
Coefficient B			1.49572e+00
Coefficient C			-9.60080e-04
Coefficient D			2.37800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.69	J/mol×K	273.00	Calculated Property
Cp,gas	411.59	J/mol×K	353.78	Calculated Property
Cp,gas	480.26	J/mol×K	434.56	Calculated Property
Cp,gas	540.44	J/mol×K	515.33	Calculated Property
Cp,gas	592.90	J/mol×K	596.11	Calculated Property
Cp,gas	638.37	J/mol×K	676.89	Calculated Property
Cp,gas	677.62	J/mol×K	757.67	Calculated Property
Cp,gas	711.39	J/mol×K	838.44	Calculated Property
Cp,gas	740.44	J/mol×K	919.22	Calculated Property
Cp,gas	765.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006193; 0.0000304]	Pa×s	[451.87; 669.37]	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			-1.66611e+01
Coefficient B			4.19072e+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.			451.87
Temperature range, max.			669.37
η	0.0006193	Pa×s	451.87	Calculated Property
η	0.0003867	Pa×s	476.04	Calculated Property
η	0.0002528	Pa×s	500.20	Calculated Property
η	0.0001718	Pa×s	524.37	Calculated Property
η	0.0001208	Pa×s	548.53	Calculated Property
η	0.0000875	Pa×s	572.70	Calculated Property
η	0.0000651	Pa×s	596.87	Calculated Property
η	0.0000495	Pa×s	621.03	Calculated Property
η	0.0000385	Pa×s	645.20	Calculated Property
η	0.0000304	Pa×s	669.37	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,4-Ditert-butyl-6-chlorophenoxy)ethanol.

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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