Chemical Properties of 2,3-Dichloro-1,3-butadiene (CAS 1653-19-6)

InChI

InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2

InChI Key

LIFLRQVHKGGNSG-UHFFFAOYSA-N

Formula

C4H4Cl2

SMILES

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

Molecular Weight¹

122.98

CAS

1653-19-6

• ω : Acentric Factor.
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[115.49; 146.30]	J/mol×K	[359.10; 557.47]
Cp,gas	115.49	J/mol×K	359.10	Joback Calculated Property
Cp,gas	121.52	J/mol×K	392.16	Joback Calculated Property
Cp,gas	127.16	J/mol×K	425.22	Joback Calculated Property
Cp,gas	132.44	J/mol×K	458.28	Joback Calculated Property
Cp,gas	137.38	J/mol×K	491.34	Joback Calculated Property
Cp,gas	142.00	J/mol×K	524.40	Joback Calculated Property
Cp,gas	146.30	J/mol×K	557.47	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[266.08; 395.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60507e+01
Coefficient B			-4.37439e+03
Coefficient C			1.14310e+01
Temperature range, min.			266.08
Temperature range, max.			395.90
Pvap	1.33	kPa	266.08	Calculated Property
Pvap	2.91	kPa	280.50	Calculated Property
Pvap	5.88	kPa	294.93	Calculated Property
Pvap	11.18	kPa	309.35	Calculated Property
Pvap	20.11	kPa	323.78	Calculated Property
Pvap	34.44	kPa	338.20	Calculated Property
Pvap	56.55	kPa	352.63	Calculated Property
Pvap	89.39	kPa	367.05	Calculated Property
Pvap	136.64	kPa	381.48	Calculated Property
Pvap	202.67	kPa	395.90	Calculated Property
Pvap	[6.33; 82.34]	kPa	[299.15; 368.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			-4.84972e+00
Coefficient B			-3.23076e+03
Coefficient C			3.10343e+00
Coefficient D			-2.21562e-06
Temperature range, min.			299.15
Temperature range, max.			368.15
Pvap	6.33	kPa	299.15	Calculated Property
Pvap	8.87	kPa	306.82	Calculated Property
Pvap	12.25	kPa	314.48	Calculated Property
Pvap	16.68	kPa	322.15	Calculated Property
Pvap	22.40	kPa	329.82	Calculated Property
Pvap	29.71	kPa	337.48	Calculated Property
Pvap	38.95	kPa	345.15	Calculated Property
Pvap	50.50	kPa	352.82	Calculated Property
Pvap	64.80	kPa	360.48	Calculated Property
Pvap	82.34	kPa	368.15	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dichloro-1,3-butadiene.

Sources

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

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