Chemical Properties of 1-Propene, 1,1,3-trichloro- (CAS 2567-14-8)

InChI

InChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1H,2H2

InChI Key

JFEVIPGMXQNRRF-UHFFFAOYSA-N

Formula

C3H3Cl3

SMILES

ClCC=C(Cl)Cl

Molecular Weight¹

145.41

CAS

2567-14-8

Other Names

• 1,1,3-Trichloro-1-propene
• 1,1,3-Trichloropropene
• 1,3,3-Trichloro-2-propene
• 3,3-Dichloroallyl chloride
• Propene, 1,1,3-trichloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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.
• 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°	10.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-45.04	kJ/mol	Joback Calculated Property
ΔfusH°	15.01	kJ/mol	Joback Calculated Property
ΔvapH°	35.47	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.544		Crippen Calculated Property
McVol	85.550	ml/mol	McGowan Calculated Property
Pc	4109.14	kPa	Joback Calculated Property
Inp	[840.00; 840.00]
Inp	840.00		NIST
Inp	840.00		NIST
Tboil	404.70	K	NIST
Tc	590.66	K	Joback Calculated Property
Tfus	194.29	K	Joback Calculated Property
Vc	0.332	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.82; 140.07]	J/mol×K	[384.37; 590.66]
Cp,gas	114.82	J/mol×K	384.37	Joback Calculated Property
Cp,gas	119.89	J/mol×K	418.75	Joback Calculated Property
Cp,gas	124.59	J/mol×K	453.13	Joback Calculated Property
Cp,gas	128.93	J/mol×K	487.51	Joback Calculated Property
Cp,gas	132.94	J/mol×K	521.89	Joback Calculated Property
Cp,gas	136.65	J/mol×K	556.28	Joback Calculated Property
Cp,gas	140.07	J/mol×K	590.66	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[295.76; 431.94]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42428e+01
Coefficient B			-3.37859e+03
Coefficient C			-5.36570e+01
Temperature range, min.			295.76
Temperature range, max.			431.94
Pvap	1.33	kPa	295.76	Calculated Property
Pvap	3.03	kPa	310.89	Calculated Property
Pvap	6.28	kPa	326.02	Calculated Property
Pvap	12.07	kPa	341.15	Calculated Property
Pvap	21.73	kPa	356.28	Calculated Property
Pvap	36.97	kPa	371.42	Calculated Property
Pvap	59.95	kPa	386.55	Calculated Property
Pvap	93.20	kPa	401.68	Calculated Property
Pvap	139.66	kPa	416.81	Calculated Property
Pvap	202.63	kPa	431.94	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 1,1,3-trichloro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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