Chemical Properties of Phenol, 2-chloro-6-(1,1-dimethylethyl)- (CAS 4237-37-0)

InChI

InChI=1S/C10H13ClO/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,12H,1-3H3

InChI Key

UBHJDCKSYYGMRI-UHFFFAOYSA-N

Formula

C10H13ClO

SMILES

CC(C)(C)c1cccc(Cl)c1O

Molecular Weight¹

184.66

CAS

4237-37-0

Other Names

• Phenol, 2-tert-butyl-6-chloro-
• 2-Tert-butyl-6-chlorophenol

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.52; 406.82]	J/mol×K	[574.88; 813.22]
Cp,gas	340.52	J/mol×K	574.88	Joback Calculated Property
Cp,gas	353.84	J/mol×K	614.60	Joback Calculated Property
Cp,gas	366.09	J/mol×K	654.33	Joback Calculated Property
Cp,gas	377.39	J/mol×K	694.05	Joback Calculated Property
Cp,gas	387.86	J/mol×K	733.78	Joback Calculated Property
Cp,gas	397.63	J/mol×K	773.50	Joback Calculated Property
Cp,gas	406.82	J/mol×K	813.22	Joback Calculated Property
η	[0.0000412; 0.0014414]	Pa×s	[385.46; 574.88]
η	0.0014414	Pa×s	385.46	Joback Calculated Property
η	0.0006369	Pa×s	417.03	Joback Calculated Property
η	0.0003157	Pa×s	448.60	Joback Calculated Property
η	0.0001716	Pa×s	480.17	Joback Calculated Property
η	0.0001006	Pa×s	511.74	Joback Calculated Property
η	0.0000627	Pa×s	543.31	Joback Calculated Property
η	0.0000412	Pa×s	574.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-chloro-6-(1,1-dimethylethyl)-.

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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