Chemical Properties of 2,4,6-Trichlorobenzyl alcohol, ethyl ether

InChI

InChI=1S/C9H9Cl3O/c1-2-13-5-7-8(11)3-6(10)4-9(7)12/h3-4H,2,5H2,1H3

InChI Key

ICLBRTXAPUWKGI-UHFFFAOYSA-N

Formula

C9H9Cl3O

SMILES

CCOCc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

239.53

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.72	kJ/mol	Joback Calculated Property
logPoct/wat	4.183		Crippen Calculated Property
McVol	156.500	ml/mol	McGowan Calculated Property
Inp	[1527.00; 1527.00]
Inp	1527.00		NIST
Inp	1527.00		NIST

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, 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	[202.42; 399.31]	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			6.78720e+01
Coefficient B			5.58620e-01
Coefficient C			-2.46080e-04
Coefficient D			1.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.42	J/mol×K	273.00	Calculated Property
Cp,gas	235.54	J/mol×K	353.78	Calculated Property
Cp,gas	265.70	J/mol×K	434.56	Calculated Property
Cp,gas	292.98	J/mol×K	515.33	Calculated Property
Cp,gas	317.43	J/mol×K	596.11	Calculated Property
Cp,gas	339.11	J/mol×K	676.89	Calculated Property
Cp,gas	358.08	J/mol×K	757.67	Calculated Property
Cp,gas	374.39	J/mol×K	838.44	Calculated Property
Cp,gas	388.12	J/mol×K	919.22	Calculated Property
Cp,gas	399.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010425; 0.0002118]	Pa×s	[367.16; 564.50]	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			-1.14243e+01
Coefficient B			1.67357e+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.			367.16
Temperature range, max.			564.50
η	0.0010425	Pa×s	367.16	Calculated Property
η	0.0008063	Pa×s	389.09	Calculated Property
η	0.0006410	Pa×s	411.01	Calculated Property
η	0.0005215	Pa×s	432.94	Calculated Property
η	0.0004329	Pa×s	454.87	Calculated Property
η	0.0003655	Pa×s	476.80	Calculated Property
η	0.0003132	Pa×s	498.72	Calculated Property
η	0.0002719	Pa×s	520.65	Calculated Property
η	0.0002388	Pa×s	542.58	Calculated Property
η	0.0002118	Pa×s	564.50	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, ethyl 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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