Chemical Properties of 2-Allyl-3,6-dichlorophenol (CAS 116632-92-9)

InChI

InChI=1S/C9H8Cl2O/c1-2-3-6-7(10)4-5-8(11)9(6)12/h2,4-5,12H,1,3H2

InChI Key

RDUKRQJHXBCYIY-UHFFFAOYSA-N

Formula

C9H8Cl2O

SMILES

C=CCc1c(Cl)ccc(Cl)c1O

Molecular Weight¹

203.06

CAS

116632-92-9

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[178.14; 369.49]	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			3.27100e+00
Coefficient B			8.09100e-01
Coefficient C			-6.82980e-04
Coefficient D			2.40100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.14	J/mol×K	273.00	Calculated Property
Cp,gas	214.66	J/mol×K	353.78	Calculated Property
Cp,gas	245.60	J/mol×K	434.56	Calculated Property
Cp,gas	271.71	J/mol×K	515.33	Calculated Property
Cp,gas	293.75	J/mol×K	596.11	Calculated Property
Cp,gas	312.48	J/mol×K	676.89	Calculated Property
Cp,gas	328.66	J/mol×K	757.67	Calculated Property
Cp,gas	343.05	J/mol×K	838.44	Calculated Property
Cp,gas	356.41	J/mol×K	919.22	Calculated Property
Cp,gas	369.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007758; 0.0000497]	Pa×s	[412.45; 582.75]	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			-1.65665e+01
Coefficient B			3.87904e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			412.45
Temperature range, max.			582.75
η	0.0007758	Pa×s	412.45	Calculated Property
η	0.0005136	Pa×s	431.37	Calculated Property
η	0.0003519	Pa×s	450.30	Calculated Property
η	0.0002487	Pa×s	469.22	Calculated Property
η	0.0001805	Pa×s	488.14	Calculated Property
η	0.0001342	Pa×s	507.06	Calculated Property
η	0.0001019	Pa×s	525.99	Calculated Property
η	0.0000789	Pa×s	544.91	Calculated Property
η	0.0000621	Pa×s	563.83	Calculated Property
η	0.0000497	Pa×s	582.75	Calculated Property

Similar Compounds

Find more compounds similar to 2-Allyl-3,6-dichlorophenol.

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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