Chemical Properties of 2-Methyl-6-(1-phenylbutyl)phenol

InChI

InChI=1S/C17H20O/c1-3-8-15(14-10-5-4-6-11-14)16-12-7-9-13(2)17(16)18/h4-7,9-12,15,18H,3,8H2,1-2H3

InChI Key

IDWTUXABKUCYJN-UHFFFAOYSA-N

Formula

C17H20O

SMILES

CCCC(c1ccccc1)c1cccc(C)c1O

Molecular Weight¹

240.35

• 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_c : Critical 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	-78.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.74	kJ/mol	Joback Calculated Property
ΔvapH°	102.49	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-4.18		Relay (1.0) Calculated Property
logPoct/wat	4.633		Crippen Calculated Property
McVol	208.740	ml/mol	McGowan Calculated Property
Inp	[1856.00; 1856.00]
Inp	1856.00		NIST
Inp	1856.00		NIST
Tboil	599.00	K	Relay (1.0) Calculated Property
Tc	859.36	K	Relay (1.0) Calculated Property
Tfus	331.59	K	Relay (1.0) Calculated Property

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	[270.73; 679.24]	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			-7.66780e+01
Coefficient B			1.56204e+00
Coefficient C			-1.15592e-03
Coefficient D			3.49800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.73	J/mol×K	273.00	Calculated Property
Cp,gas	346.75	J/mol×K	353.78	Calculated Property
Cp,gas	412.54	J/mol×K	434.56	Calculated Property
Cp,gas	469.19	J/mol×K	515.33	Calculated Property
Cp,gas	517.81	J/mol×K	596.11	Calculated Property
Cp,gas	559.52	J/mol×K	676.89	Calculated Property
Cp,gas	595.41	J/mol×K	757.67	Calculated Property
Cp,gas	626.58	J/mol×K	838.44	Calculated Property
Cp,gas	654.16	J/mol×K	919.22	Calculated Property
Cp,gas	679.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005241; 0.0000162]	Pa×s	[443.43; 676.22]	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			-1.76509e+01
Coefficient B			4.47734e+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.			443.43
Temperature range, max.			676.22
η	0.0005241	Pa×s	443.43	Calculated Property
η	0.0003004	Pa×s	469.30	Calculated Property
η	0.0001825	Pa×s	495.16	Calculated Property
η	0.0001165	Pa×s	521.03	Calculated Property
η	0.0000776	Pa×s	546.89	Calculated Property
η	0.0000536	Pa×s	572.76	Calculated Property
η	0.0000382	Pa×s	598.63	Calculated Property
η	0.0000281	Pa×s	624.49	Calculated Property
η	0.0000211	Pa×s	650.36	Calculated Property
η	0.0000162	Pa×s	676.22	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-6-(1-phenylbutyl)phenol.

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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