Chemical Properties of Phenol, 4-(1,2,2,3,3-pentamethylbutyl)

InChI

InChI=1S/C15H24O/c1-11(15(5,6)14(2,3)4)12-7-9-13(16)10-8-12/h7-11,16H,1-6H3

InChI Key

IVJSPATVAFWTOL-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC(c1ccc(O)cc1)C(C)(C)C(C)(C)C

Molecular Weight¹

220.36

• 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).
• I_np : Non-polar retention indices.
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.09; 700.56]	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			-1.04200e+02
Coefficient B			1.76212e+00
Coefficient C			-1.42656e-03
Coefficient D			4.69200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.09	J/mol×K	273.00	Calculated Property
Cp,gas	361.43	J/mol×K	353.78	Calculated Property
Cp,gas	430.65	J/mol×K	434.56	Calculated Property
Cp,gas	489.24	J/mol×K	515.33	Calculated Property
Cp,gas	538.68	J/mol×K	596.11	Calculated Property
Cp,gas	580.46	J/mol×K	676.89	Calculated Property
Cp,gas	616.05	J/mol×K	757.67	Calculated Property
Cp,gas	646.94	J/mol×K	838.44	Calculated Property
Cp,gas	674.61	J/mol×K	919.22	Calculated Property
Cp,gas	700.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019516; 0.0000208]	Pa×s	[386.79; 611.00]	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			-1.86178e+01
Coefficient B			4.78794e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			386.79
Temperature range, max.			611.00
η	0.0019516	Pa×s	386.79	Calculated Property
η	0.0009228	Pa×s	411.70	Calculated Property
η	0.0004752	Pa×s	436.62	Calculated Property
η	0.0002629	Pa×s	461.53	Calculated Property
η	0.0001546	Pa×s	486.44	Calculated Property
η	0.0000957	Pa×s	511.35	Calculated Property
η	0.0000619	Pa×s	536.27	Calculated Property
η	0.0000417	Pa×s	561.18	Calculated Property
η	0.0000290	Pa×s	586.09	Calculated Property
η	0.0000208	Pa×s	611.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1,2,2,3,3-pentamethylbutyl).

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.