Chemical Properties of 2,3,4-TRICHLORO-1-BUTENE (CAS 2431-50-7)

InChI

InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2

InChI Key

WZUZDBPJFHQVJC-UHFFFAOYSA-N

Formula

C4H5Cl3

SMILES

C=C(Cl)C(Cl)CCl

Molecular Weight¹

159.44

CAS

2431-50-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.58; 222.26]	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			3.35610e+01
Coefficient B			3.90000e-01
Coefficient C			-2.83400e-04
Coefficient D			8.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.58	J/mol×K	273.00	Calculated Property
Cp,gas	139.70	J/mol×K	353.78	Calculated Property
Cp,gas	156.26	J/mol×K	434.56	Calculated Property
Cp,gas	170.51	J/mol×K	515.33	Calculated Property
Cp,gas	182.73	J/mol×K	596.11	Calculated Property
Cp,gas	193.16	J/mol×K	676.89	Calculated Property
Cp,gas	202.07	J/mol×K	757.67	Calculated Property
Cp,gas	209.72	J/mol×K	838.44	Calculated Property
Cp,gas	216.36	J/mol×K	919.22	Calculated Property
Cp,gas	222.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.35; 40.94]	kPa	[303.15; 403.15]	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			6.61929e+02
Coefficient B			-3.22086e+04
Coefficient C			-9.89376e+01
Coefficient D			9.37238e-05
Coefficient E			0.00000e+00
Temperature range, min.			303.15
Temperature range, max.			403.15
Pvap	0.35	kPa	303.15	Calculated Property
Pvap	0.80	kPa	314.26	Calculated Property
Pvap	1.67	kPa	325.37	Calculated Property
Pvap	3.14	kPa	336.48	Calculated Property
Pvap	5.49	kPa	347.59	Calculated Property
Pvap	8.99	kPa	358.71	Calculated Property
Pvap	13.94	kPa	369.82	Calculated Property
Pvap	20.66	kPa	380.93	Calculated Property
Pvap	29.51	kPa	392.04	Calculated Property
Pvap	40.94	kPa	403.15	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-TRICHLORO-1-BUTENE.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method

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