Chemical Properties of 2-Allyl-6-t-butylphenol

InChI

InChI=1S/C13H18O/c1-5-7-10-8-6-9-11(12(10)14)13(2,3)4/h5-6,8-9,14H,1,7H2,2-4H3

InChI Key

JHCFLUGYQKACEJ-UHFFFAOYSA-N

Formula

C13H18O

SMILES

C=CCc1cccc(C(C)(C)C)c1O

Molecular Weight¹

190.29

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Log10 of Water solubility in mol/l 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	[232.17; 563.82]	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			-6.49190e+01
Coefficient B			1.36086e+00
Coefficient C			-1.09862e-03
Coefficient D			3.66500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.17	J/mol×K	273.00	Calculated Property
Cp,gas	295.25	J/mol×K	353.78	Calculated Property
Cp,gas	349.06	J/mol×K	434.56	Calculated Property
Cp,gas	394.78	J/mol×K	515.33	Calculated Property
Cp,gas	433.55	J/mol×K	596.11	Calculated Property
Cp,gas	466.53	J/mol×K	676.89	Calculated Property
Cp,gas	494.89	J/mol×K	757.67	Calculated Property
Cp,gas	519.79	J/mol×K	838.44	Calculated Property
Cp,gas	542.38	J/mol×K	919.22	Calculated Property
Cp,gas	563.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013350; 0.0000365]	Pa×s	[387.59; 580.01]	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			-1.74675e+01
Coefficient B			4.20484e+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.			387.59
Temperature range, max.			580.01
η	0.0013350	Pa×s	387.59	Calculated Property
η	0.0007572	Pa×s	408.97	Calculated Property
η	0.0004543	Pa×s	430.35	Calculated Property
η	0.0002861	Pa×s	451.73	Calculated Property
η	0.0001879	Pa×s	473.11	Calculated Property
η	0.0001279	Pa×s	494.49	Calculated Property
η	0.0000899	Pa×s	515.87	Calculated Property
η	0.0000650	Pa×s	537.25	Calculated Property
η	0.0000482	Pa×s	558.63	Calculated Property
η	0.0000365	Pa×s	580.01	Calculated Property

Similar Compounds

Find more compounds similar to 2-Allyl-6-t-butylphenol.

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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