Chemical Properties of Hexachloropropene (CAS 1888-71-7)

InChI

InChI=1S/C3Cl6/c4-1(2(5)6)3(7,8)9

InChI Key

VFDYKPARTDCDCU-UHFFFAOYSA-N

Formula

C3Cl6

SMILES

ClC(Cl)=C(Cl)C(Cl)(Cl)Cl

Molecular Weight¹

248.75

CAS

1888-71-7

Other Names

• 1,1,2,3,3,3-Hexachloro-1-propene
• 1-Propene, 1,1,2,3,3,3-hexachloro-
• 1-Propene, hexachloro-
• Hexachloropropylene
• NSC 7297
• Perchloropropene
• Perchloropropylene
• Propene, hexachloro-
• Rcra waste number U243

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-51.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.88	kJ/mol	Joback Calculated Property
ΔvapH°	54.80 ± 0.40	kJ/mol	NIST
IE	9.74	eV	Relay (1.0) Calculated Property
logPoct/wat	4.242		Crippen Calculated Property
McVol	122.270	ml/mol	McGowan Calculated Property
Pc	2500.00 ± 200.00	kPa	NIST
ρc	485.06 ± 14.92	kg/m3	NIST
Inp	[203.60; 1166.00]
Inp	1166.00		NIST
Inp	1166.00		NIST
Inp	203.65		NIST
Inp	203.60		NIST
Inp	203.65		NIST
Tboil	[482.70; 484.80]	K
Tboil	482.70	K	NIST
Tboil	484.80 ± 0.80	K	NIST
Tc	680.00 ± 5.00	K	NIST
Tfus	237.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.06; 186.95]	J/mol×K	[493.51; 741.93]
Cp,gas	171.06	J/mol×K	493.51	Joback Calculated Property
Cp,gas	175.13	J/mol×K	534.91	Joback Calculated Property
Cp,gas	178.51	J/mol×K	576.32	Joback Calculated Property
Cp,gas	181.30	J/mol×K	617.72	Joback Calculated Property
Cp,gas	183.58	J/mol×K	659.12	Joback Calculated Property
Cp,gas	185.43	J/mol×K	700.52	Joback Calculated Property
Cp,gas	186.95	J/mol×K	741.93	Joback Calculated Property
ΔvapH	49.30	kJ/mol	461.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[357.83; 513.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46815e+01
Coefficient B			-4.17631e+03
Coefficient C			-6.76880e+01
Temperature range, min.			357.83
Temperature range, max.			513.40
Pvap	1.33	kPa	357.83	Calculated Property
Pvap	2.99	kPa	375.12	Calculated Property
Pvap	6.17	kPa	392.40	Calculated Property
Pvap	11.82	kPa	409.69	Calculated Property
Pvap	21.27	kPa	426.97	Calculated Property
Pvap	36.27	kPa	444.26	Calculated Property
Pvap	59.01	kPa	461.54	Calculated Property
Pvap	92.17	kPa	478.83	Calculated Property
Pvap	138.86	kPa	496.11	Calculated Property
Pvap	202.65	kPa	513.40	Calculated Property

Similar Compounds

Find more compounds similar to Hexachloropropene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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