Chemical Properties of Ethanol, 2,2,2-trichloro- (CAS 115-20-8)

InChI

InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

InChI Key

KPWDGTGXUYRARH-UHFFFAOYSA-N

Formula

C2H3Cl3O

SMILES

OCC(Cl)(Cl)Cl

Molecular Weight¹

149.40

CAS

115-20-8

Other Names

• «beta»,«beta»,.beta-Trichloroethanol
• (Hydroxymethyl)trichloromethane
• Trichlorethanol
• Trichloroethanol
• 2,2,2-Trichloroethanol
• 2,2,2-Trichloroethyl alcohol
• CCl3CH2OH
• Trichloroethyl alcohol
• 2,2,2-Trichloro-1-ethanol
• NSC 66407

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	729.30	kJ/mol	NIST
BasG	698.90	kJ/mol	NIST
ΔfG°	-203.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.81	kJ/mol	Joback Calculated Property
ΔfusH°	10.20	kJ/mol	Joback Calculated Property
ΔvapH°	48.58	kJ/mol	Joback Calculated Property
IE	[10.94; 13.60]	eV
IE	10.94	eV	NIST
IE	13.60	eV	NIST
log10WS	-1.48		Crippen Calculated Property
logPoct/wat	1.349		Crippen Calculated Property
McVol	81.630	ml/mol	McGowan Calculated Property
Pc	5029.93	kPa	Joback Calculated Property
Inp	[838.00; 877.00]
Inp	860.00		NIST
Inp	862.00		NIST
Inp	838.00		NIST
Inp	854.00		NIST
Inp	843.00		NIST
Inp	858.00		NIST
Inp	858.00		NIST
Inp	859.00		NIST
Inp	Outlier 877.00		NIST
Inp	857.00		NIST
I	[1691.00; 1721.00]
I	1701.00		NIST
I	1721.00		NIST
I	1708.00		NIST
I	1691.00		NIST
I	1701.00		NIST
Tboil	[424.00; 424.20]	K
Tboil	424.20	K	NIST
Tboil	424.00 ± 1.00	K	NIST
Tc	643.79	K	Joback Calculated Property
Tfus	265.30	K	Joback Calculated Property
Vc	0.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.88; 149.30]	J/mol×K	[446.40; 643.79]
Cp,gas	128.88	J/mol×K	446.40	Joback Calculated Property
Cp,gas	133.14	J/mol×K	479.30	Joback Calculated Property
Cp,gas	137.02	J/mol×K	512.20	Joback Calculated Property
Cp,gas	140.55	J/mol×K	545.09	Joback Calculated Property
Cp,gas	143.76	J/mol×K	577.99	Joback Calculated Property
Cp,gas	146.67	J/mol×K	610.89	Joback Calculated Property
Cp,gas	149.30	J/mol×K	643.79	Joback Calculated Property
η	[0.0003610; 0.0340226]	Pa×s	[265.30; 446.40]
η	0.0340226	Pa×s	265.30	Joback Calculated Property
η	0.0108307	Pa×s	295.48	Joback Calculated Property
η	0.0042628	Pa×s	325.67	Joback Calculated Property
η	0.0019653	Pa×s	355.85	Joback Calculated Property
η	0.0010227	Pa×s	386.03	Joback Calculated Property
η	0.0005851	Pa×s	416.22	Joback Calculated Property
η	0.0003610	Pa×s	446.40	Joback Calculated Property
ΔfusH	10.05	kJ/mol	290.60	NIST

Similar Compounds

Find more compounds similar to Ethanol, 2,2,2-trichloro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.