Chemical Properties of 1-Propene, 2,3-dichloro- (CAS 78-88-6)

InChI

InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2

InChI Key

FALCMQXTWHPRIH-UHFFFAOYSA-N

Formula

C3H4Cl2

SMILES

C=C(Cl)CCl

Molecular Weight¹

110.97

CAS

78-88-6

Other Names

• 1,2-Dichloro-2-propene
• 2,3-Dichloro-1-propene
• 2,3-Dichloropropene
• 2,3-Dichloropropene-(1)
• 2,3-Dichloropropylene
• 2-Chloroallyl chloride
• Propene, 2,3-dichloro-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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
ω	0.2125		Relay (1.0) Calculated Property
ΔcH°liquid	-1726.20	kJ/mol	NIST
ΔfH°gas	-40.14	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-73.47	kJ/mol	NIST
ΔfusH°	9.33	kJ/mol	Joback Calculated Property
ΔvapH°	33.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.82 ± 0.03	eV	NIST
log10WS	-1.91		Relay (1.0) Calculated Property
logPoct/wat	1.978		Crippen Calculated Property
McVol	73.310	ml/mol	McGowan Calculated Property
Pc	4255.16	kPa	Joback Calculated Property
Inp	[684.00; 707.00]
Inp	705.00		NIST
Inp	705.00		NIST
Inp	686.00		NIST
Inp	707.00		NIST
Inp	684.00		NIST
I	[1066.00; 1066.00]
I	1066.00		NIST
I	1066.00		NIST
Tboil	367.20	K	NIST
Tc	580.50	K	Relay (1.0) Calculated Property
Tfus	211.61	K	Relay (1.0) Calculated Property
Vc	0.263	m3/kmol	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[86.28; 161.86]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.32610e+01
Coefficient B			2.82300e-01
Coefficient C			-2.05400e-04
Coefficient D			6.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	86.28	J/mol×K	273.00	Calculated Property
Cp,gas	100.16	J/mol×K	353.78	Calculated Property
Cp,gas	112.21	J/mol×K	434.56	Calculated Property
Cp,gas	122.64	J/mol×K	515.33	Calculated Property
Cp,gas	131.62	J/mol×K	596.11	Calculated Property
Cp,gas	139.37	J/mol×K	676.89	Calculated Property
Cp,gas	146.07	J/mol×K	757.67	Calculated Property
Cp,gas	151.93	J/mol×K	838.44	Calculated Property
Cp,gas	157.12	J/mol×K	919.22	Calculated Property
Cp,gas	161.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[272.20; 390.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50651e+01
Coefficient B			-3.38646e+03
Coefficient C			-4.30370e+01
Temperature range, min.			272.20
Temperature range, max.			390.24
Pvap	1.33	kPa	272.20	Calculated Property
Pvap	2.97	kPa	285.32	Calculated Property
Pvap	6.08	kPa	298.43	Calculated Property
Pvap	11.62	kPa	311.55	Calculated Property
Pvap	20.91	kPa	324.66	Calculated Property
Pvap	35.71	kPa	337.78	Calculated Property
Pvap	58.26	kPa	350.89	Calculated Property
Pvap	91.33	kPa	364.01	Calculated Property
Pvap	138.19	kPa	377.12	Calculated Property
Pvap	202.67	kPa	390.24	Calculated Property
Pvap	[2.19e-03; 4352.68]	kPa	[191.50; 577.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			5.21947e+01
Coefficient B			-5.61113e+03
Coefficient C			-5.54617e+00
Coefficient D			3.51475e-06
Coefficient E			0.00000e+00
Temperature range, min.			191.50
Temperature range, max.			577.00
Pvap	2.19e-03	kPa	191.50	Calculated Property
Pvap	0.16	kPa	234.33	Calculated Property
Pvap	2.79	kPa	277.17	Calculated Property
Pvap	20.65	kPa	320.00	Calculated Property
Pvap	90.37	kPa	362.83	Calculated Property
Pvap	279.65	kPa	405.67	Calculated Property
Pvap	682.96	kPa	448.50	Calculated Property
Pvap	1411.92	kPa	491.33	Calculated Property
Pvap	2589.63	kPa	534.17	Calculated Property
Pvap	4352.68	kPa	577.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 2,3-dichloro-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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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