Chemical Properties of Allyl-2,3,6-trichlorophenyl ether (CAS 116435-14-4)

InChI

InChI=1S/C9H7Cl3O/c1-2-5-13-9-7(11)4-3-6(10)8(9)12/h2-4H,1,5H2

InChI Key

GYMHSNQIWMTIOZ-UHFFFAOYSA-N

Formula

C9H7Cl3O

SMILES

C=CCOc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

237.51

CAS

116435-14-4

• 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	[192.61; 370.80]	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			6.48810e+01
Coefficient B			5.38600e-01
Coefficient C			-2.68980e-04
Coefficient D			3.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.61	J/mol×K	273.00	Calculated Property
Cp,gas	223.37	J/mol×K	353.78	Calculated Property
Cp,gas	251.12	J/mol×K	434.56	Calculated Property
Cp,gas	275.97	J/mol×K	515.33	Calculated Property
Cp,gas	298.05	J/mol×K	596.11	Calculated Property
Cp,gas	317.47	J/mol×K	676.89	Calculated Property
Cp,gas	334.34	J/mol×K	757.67	Calculated Property
Cp,gas	348.77	J/mol×K	838.44	Calculated Property
Cp,gas	360.89	J/mol×K	919.22	Calculated Property
Cp,gas	370.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010139; 0.0002135]	Pa×s	[365.40; 565.60]	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			-1.12958e+01
Coefficient B			1.60841e+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.			365.40
Temperature range, max.			565.60
η	0.0010139	Pa×s	365.40	Calculated Property
η	0.0007875	Pa×s	387.64	Calculated Property
η	0.0006288	Pa×s	409.89	Calculated Property
η	0.0005138	Pa×s	432.13	Calculated Property
η	0.0004282	Pa×s	454.38	Calculated Property
η	0.0003630	Pa×s	476.62	Calculated Property
η	0.0003123	Pa×s	498.87	Calculated Property
η	0.0002721	Pa×s	521.11	Calculated Property
η	0.0002398	Pa×s	543.36	Calculated Property
η	0.0002135	Pa×s	565.60	Calculated Property

Similar Compounds

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

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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