Chemical Properties of 2-Propanol, 1,1,1-trichloro-2-methyl- (CAS 57-15-8)

InChI

InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3

InChI Key

OSASVXMJTNOKOY-UHFFFAOYSA-N

Formula

C4H7Cl3O

SMILES

CC(C)(O)C(Cl)(Cl)Cl

Molecular Weight¹

177.46

CAS

57-15-8

Other Names

• «beta»,«beta»,«beta»-Trichloro-tert-butyl alcohol
• Acetochlorone
• Acetone chloroform
• Chlorobutanol
• Chlorbutanol
• Chlorbutol
• Chloreton
• Chloretone
• Chlortran
• Clortran
• Dentalone
• Khloreton
• Methaform
• Sedaform
• Trichloro-tert-butyl alcohol
• 1,1,1-Trichloro-tert-butyl alcohol
• 2-(Trichloromethyl)-2-propanol
• 2-(Trichloromethyl)propan-2-ol
• 1,1,1-Trichloro-2-methyl-2-propanol
• tert-Trichlorobutyl alcohol
• Acetonchloroform
• HCP
• 2-Propanol, 2-methyl-1,1,1-trichloro-
• Trichloro-tert-butanol
• Trichloro-t-butyl alcohol
• t-Trichlorobutyl alcohol
• 2,2,2-Trichloro-1,1-dimethylethanol
• Coliquifilm
• Trichlorobutanol
• Anhydrous chlorobutanol
• NSC 44794

• 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_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
ΔfG°	-184.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-342.84	kJ/mol	Joback Calculated Property
ΔfusH°	7.97	kJ/mol	Joback Calculated Property
ΔvapH°	51.74	kJ/mol	Joback Calculated Property
IE	10.38	eV	NIST
log10WS	-2.43		Crippen Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	109.810	ml/mol	McGowan Calculated Property
Pc	3990.60	kPa	Joback Calculated Property
Inp	[949.00; 976.00]
Inp	976.00		NIST
Inp	976.00		NIST
Inp	949.00		NIST
Inp	949.00		NIST
Inp	976.00		NIST
I	[1638.00; 1638.00]
I	1638.00		NIST
I	1638.00		NIST
Tboil	[440.20; 442.00]	K
Tboil	440.20	K	NIST
Tboil	442.00 ± 4.00	K	NIST
Tc	694.13	K	Joback Calculated Property
Tfus	371.90 ± 1.50	K	NIST
Vc	0.404	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.55; 242.62]	J/mol×K	[488.93; 694.13]
Cp,gas	206.55	J/mol×K	488.93	Joback Calculated Property
Cp,gas	214.08	J/mol×K	523.13	Joback Calculated Property
Cp,gas	220.93	J/mol×K	557.33	Joback Calculated Property
Cp,gas	227.15	J/mol×K	591.53	Joback Calculated Property
Cp,gas	232.81	J/mol×K	625.73	Joback Calculated Property
Cp,gas	237.95	J/mol×K	659.93	Joback Calculated Property
Cp,gas	242.62	J/mol×K	694.13	Joback Calculated Property
η	[0.0002274; 0.0266028]	Pa×s	[290.26; 488.93]
η	0.0266028	Pa×s	290.26	Joback Calculated Property
η	0.0080124	Pa×s	323.37	Joback Calculated Property
η	0.0030159	Pa×s	356.48	Joback Calculated Property
η	0.0013403	Pa×s	389.60	Joback Calculated Property
η	0.0006763	Pa×s	422.71	Joback Calculated Property
η	0.0003769	Pa×s	455.82	Joback Calculated Property
η	0.0002274	Pa×s	488.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1,1,1-trichloro-2-methyl-.

Sources

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

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