Chemical Properties of 2,2,2-Trichloroethanol, methyl ether

InChI

InChI=1S/C3H5Cl3O/c1-7-2-3(4,5)6/h2H2,1H3

InChI Key

NZZHHOMCJICYCD-UHFFFAOYSA-N

Formula

C3H5Cl3O

SMILES

COCC(Cl)(Cl)Cl

Molecular Weight¹

163.43

• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, 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	[123.28; 218.88]	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			3.98610e+01
Coefficient B			3.71820e-01
Coefficient C			-2.61400e-04
Coefficient D			6.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.28	J/mol×K	273.00	Calculated Property
Cp,gas	141.72	J/mol×K	353.78	Calculated Property
Cp,gas	157.70	J/mol×K	434.56	Calculated Property
Cp,gas	171.44	J/mol×K	515.33	Calculated Property
Cp,gas	183.15	J/mol×K	596.11	Calculated Property
Cp,gas	193.05	J/mol×K	676.89	Calculated Property
Cp,gas	201.35	J/mol×K	757.67	Calculated Property
Cp,gas	208.28	J/mol×K	838.44	Calculated Property
Cp,gas	214.05	J/mol×K	919.22	Calculated Property
Cp,gas	218.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046556; 0.0003121]	Pa×s	[237.98; 423.19]	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			-1.15446e+01
Coefficient B			1.46951e+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.			237.98
Temperature range, max.			423.19
η	0.0046556	Pa×s	237.98	Calculated Property
η	0.0028480	Pa×s	258.56	Calculated Property
η	0.0018731	Pa×s	279.14	Calculated Property
η	0.0013049	Pa×s	299.72	Calculated Property
η	0.0009523	Pa×s	320.30	Calculated Property
η	0.0007219	Pa×s	340.88	Calculated Property
η	0.0005648	Pa×s	361.45	Calculated Property
η	0.0004537	Pa×s	382.03	Calculated Property
η	0.0003727	Pa×s	402.61	Calculated Property
η	0.0003121	Pa×s	423.19	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2-Trichloroethanol, methyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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