Chemical Properties of Hexachloroacetone (CAS 116-16-5)

InChI

InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9

InChI Key

DOJXGHGHTWFZHK-UHFFFAOYSA-N

Formula

C3Cl6O

SMILES

O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Molecular Weight¹

264.75

CAS

116-16-5

Other Names

• 2-Propanone, 1,1,1,3,3,3-hexachloro-
• Bis(trichloromethyl) ketone
• Hexachloropropanone
• HCA
• Kureha HCA
• 1,1,1,3,3,3-Hexachloro-2-propanone
• 1,1,1,3,3,3-Hexachloropropanone
• 2-Propanone, hexachloro-
• Hexachloro-2-propanone
• Acetone, hexachloro-
• GC-1106
• Perchloro-2-propanone
• HCA weedkiller
• UN 2661
• NSC 6852
• Perchloroacetone

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ω	0.2765		Relay (... Calculated Property
ΔfG°	-220.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-266.10	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.48	kJ/mol	Joback Calculated Property
ΔvapH°	55.76	kJ/mol	Relay (... Calculated Property
IE	10.39	eV	Relay (... Calculated Property
log10WS	-3.41		Relay (... Calculated Property
logPoct/wat	3.296		Crippen Calculated Property
McVol	128.140	ml/mol	McGowan Calculated Property
Pc	3777.68	kPa	Joback Calculated Property
Inp	[1138.00; 1138.00]
Inp	1138.00		NIST
Inp	1138.00		NIST
Tboil	476.20	K	NIST
Tc	696.48	K	Relay (... Calculated Property
Tfus	270.31	K	Relay (... Calculated Property
Vc	0.439	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.15; 212.00]	J/mol×K	[540.03; 792.64]
Cp,gas	197.15	J/mol×K	540.03	Joback Calculated Property
Cp,gas	201.21	J/mol×K	582.13	Joback Calculated Property
Cp,gas	204.50	J/mol×K	624.23	Joback Calculated Property
Cp,gas	207.13	J/mol×K	666.33	Joback Calculated Property
Cp,gas	209.20	J/mol×K	708.43	Joback Calculated Property
Cp,gas	210.79	J/mol×K	750.54	Joback Calculated Property
Cp,gas	212.00	J/mol×K	792.64	Joback Calculated Property
η	[0.0003726; 0.0034078]	Pa×s	[357.86; 540.03]
η	0.0034078	Pa×s	357.86	Joback Calculated Property
η	0.0020399	Pa×s	388.22	Joback Calculated Property
η	0.0013155	Pa×s	418.58	Joback Calculated Property
η	0.0009002	Pa×s	448.94	Joback Calculated Property
η	0.0006463	Pa×s	479.31	Joback Calculated Property
η	0.0004827	Pa×s	509.67	Joback Calculated Property
η	0.0003726	Pa×s	540.03	Joback Calculated Property
ΔfusH	8.38	kJ/mol	147.70	NIST
ΔvapH	[22.30; 23.60]	kJ/mol	[220.50; 298.50]
ΔvapH	23.60	kJ/mol	220.50	NIST
ΔvapH	23.10	kJ/mol	229.00	NIST
ΔvapH	22.30	kJ/mol	298.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Hexachloroacetone.

Sources

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

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