Chemical Properties of Phenol, 4-[4-methyl-1-(1-methylethyl)pentyl]

InChI

InChI=1S/C15H24O/c1-11(2)5-10-15(12(3)4)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,5,10H2,1-4H3

InChI Key

WZCGHAGZEUBHTR-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC(C)CCC(c1ccc(O)cc1)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	-281.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.86	kJ/mol	Joback Calculated Property
ΔvapH°	86.48	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.568		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Inp	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	579.92	K	Relay (1.0) Calculated Property
Tfus	355.33	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	[282.38; 698.70]	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			-5.86180e+01
Coefficient B			1.52228e+00
Coefficient C			-1.08936e-03
Coefficient D			3.24400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.38	J/mol×K	273.00	Calculated Property
Cp,gas	357.95	J/mol×K	353.78	Calculated Property
Cp,gas	423.80	J/mol×K	434.56	Calculated Property
Cp,gas	480.96	J/mol×K	515.33	Calculated Property
Cp,gas	530.44	J/mol×K	596.11	Calculated Property
Cp,gas	573.28	J/mol×K	676.89	Calculated Property
Cp,gas	610.50	J/mol×K	757.67	Calculated Property
Cp,gas	643.13	J/mol×K	838.44	Calculated Property
Cp,gas	672.19	J/mol×K	919.22	Calculated Property
Cp,gas	698.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046742; 0.0000260]	Pa×s	[351.95; 603.56]	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			-1.78178e+01
Coefficient B			4.38250e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			351.95
Temperature range, max.			603.56
η	0.0046742	Pa×s	351.95	Calculated Property
η	0.0018696	Pa×s	379.91	Calculated Property
η	0.0008479	Pa×s	407.86	Calculated Property
η	0.0004256	Pa×s	435.82	Calculated Property
η	0.0002321	Pa×s	463.78	Calculated Property
η	0.0001357	Pa×s	491.73	Calculated Property
η	0.0000840	Pa×s	519.69	Calculated Property
η	0.0000546	Pa×s	547.65	Calculated Property
η	0.0000370	Pa×s	575.61	Calculated Property
η	0.0000260	Pa×s	603.56	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-[4-methyl-1-(1-methylethyl)pentyl].

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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