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

InChI

InChI=1S/C15H24O/c1-6-14(15(3,4)5)11(2)12-7-9-13(16)10-8-12/h7-11,14,16H,6H2,1-5H3

InChI Key

FCBZWPRIRKUTST-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CCC(C(C)c1ccc(O)cc1)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).
• 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

Property	Value	Unit	Source
ΔfH°gas	-271.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.97	kJ/mol	Joback Calculated Property
ΔvapH°	84.06	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	4.568		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Inp	[1731.00; 1731.00]
Inp	1731.00		NIST
Inp	1731.00		NIST
Tboil	582.57	K	Relay (1.0) Calculated Property
Tfus	373.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[281.23; 699.63]	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			-8.14090e+01
Coefficient B			1.64220e+00
Coefficient C			-1.25796e-03
Coefficient D			3.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.23	J/mol×K	273.00	Calculated Property
Cp,gas	359.69	J/mol×K	353.78	Calculated Property
Cp,gas	427.23	J/mol×K	434.56	Calculated Property
Cp,gas	485.10	J/mol×K	515.33	Calculated Property
Cp,gas	534.56	J/mol×K	596.11	Calculated Property
Cp,gas	576.87	J/mol×K	676.89	Calculated Property
Cp,gas	613.27	J/mol×K	757.67	Calculated Property
Cp,gas	645.03	J/mol×K	838.44	Calculated Property
Cp,gas	673.40	J/mol×K	919.22	Calculated Property
Cp,gas	699.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030151; 0.0000234]	Pa×s	[369.37; 607.07]	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			-1.82178e+01
Coefficient B			4.58522e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			369.37
Temperature range, max.			607.07
η	0.0030151	Pa×s	369.37	Calculated Property
η	0.0013168	Pa×s	395.78	Calculated Property
η	0.0006379	Pa×s	422.19	Calculated Property
η	0.0003366	Pa×s	448.60	Calculated Property
η	0.0001907	Pa×s	475.02	Calculated Property
η	0.0001147	Pa×s	501.43	Calculated Property
η	0.0000726	Pa×s	527.84	Calculated Property
η	0.0000480	Pa×s	554.25	Calculated Property
η	0.0000329	Pa×s	580.66	Calculated Property
η	0.0000234	Pa×s	607.07	Calculated Property

Similar Compounds

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

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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