Chemical Properties of 2,6-Diallyl-4-chlorophenol

InChI

InChI=1S/C12H13ClO/c1-3-5-9-7-11(13)8-10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6H2

InChI Key

RANSQHWYECVCMB-UHFFFAOYSA-N

Formula

C12H13ClO

SMILES

C=CCc1cc(Cl)cc(CC=C)c1O

Molecular Weight¹

208.69

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[218.57; 487.48]	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			-1.53380e+01
Coefficient B			1.06730e+00
Coefficient C			-8.48680e-04
Coefficient D			2.84200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.57	J/mol×K	273.00	Calculated Property
Cp,gas	268.61	J/mol×K	353.78	Calculated Property
Cp,gas	311.52	J/mol×K	434.56	Calculated Property
Cp,gas	348.19	J/mol×K	515.33	Calculated Property
Cp,gas	379.52	J/mol×K	596.11	Calculated Property
Cp,gas	406.40	J/mol×K	676.89	Calculated Property
Cp,gas	429.74	J/mol×K	757.67	Calculated Property
Cp,gas	450.43	J/mol×K	838.44	Calculated Property
Cp,gas	469.38	J/mol×K	919.22	Calculated Property
Cp,gas	487.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007190; 0.0000414]	Pa×s	[414.58; 593.59]	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			-1.67052e+01
Coefficient B			3.92504e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			414.58
Temperature range, max.			593.59
η	0.0007190	Pa×s	414.58	Calculated Property
η	0.0004661	Pa×s	434.47	Calculated Property
η	0.0003139	Pa×s	454.36	Calculated Property
η	0.0002185	Pa×s	474.25	Calculated Property
η	0.0001566	Pa×s	494.14	Calculated Property
η	0.0001151	Pa×s	514.03	Calculated Property
η	0.0000866	Pa×s	533.92	Calculated Property
η	0.0000665	Pa×s	553.81	Calculated Property
η	0.0000520	Pa×s	573.70	Calculated Property
η	0.0000414	Pa×s	593.59	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Diallyl-4-chlorophenol.

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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