Chemical Properties of Phenol, 2-(1,1-dimethylpropyl)-

InChI

InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3

InChI Key

BGRKGHSKCFAPCL-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CCC(C)(C)c1ccccc1O

Molecular Weight¹

164.25

• 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_c : Critical 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.00; 492.19]	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			-7.44090e+01
Coefficient B			1.25036e+00
Coefficient C			-1.03396e-03
Coefficient D			3.50200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.00	J/mol×K	273.00	Calculated Property
Cp,gas	254.04	J/mol×K	353.78	Calculated Property
Cp,gas	302.43	J/mol×K	434.56	Calculated Property
Cp,gas	343.28	J/mol×K	515.33	Calculated Property
Cp,gas	377.71	J/mol×K	596.11	Calculated Property
Cp,gas	406.82	J/mol×K	676.89	Calculated Property
Cp,gas	431.71	J/mol×K	757.67	Calculated Property
Cp,gas	453.50	J/mol×K	838.44	Calculated Property
Cp,gas	473.29	J/mol×K	919.22	Calculated Property
Cp,gas	492.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030819; 0.0000494]	Pa×s	[354.29; 548.74]	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			-1.74476e+01
Coefficient B			4.13294e+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.			354.29
Temperature range, max.			548.74
η	0.0030819	Pa×s	354.29	Calculated Property
η	0.0015763	Pa×s	375.90	Calculated Property
η	0.0008671	Pa×s	397.50	Calculated Property
η	0.0005074	Pa×s	419.11	Calculated Property
η	0.0003129	Pa×s	440.71	Calculated Property
η	0.0002018	Pa×s	462.32	Calculated Property
η	0.0001354	Pa×s	483.92	Calculated Property
η	0.0000940	Pa×s	505.53	Calculated Property
η	0.0000672	Pa×s	527.13	Calculated Property
η	0.0000494	Pa×s	548.74	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-(1,1-dimethylpropyl)-.

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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