Chemical Properties of 2,2,3-trichloropropanal (CAS 7789-90-4)

InChI

InChI=1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2

InChI Key

VMVQOWJGWBIGEU-UHFFFAOYSA-N

Formula

C3H3Cl3O

SMILES

O=CC(Cl)(Cl)CCl

Molecular Weight¹

161.41

CAS

7789-90-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.79; 191.16]	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			2.57610e+01
Coefficient B			4.09500e-01
Coefficient C			-3.65400e-04
Coefficient D			1.21300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.79	J/mol×K	273.00	Calculated Property
Cp,gas	130.27	J/mol×K	353.78	Calculated Property
Cp,gas	144.66	J/mol×K	434.56	Calculated Property
Cp,gas	156.35	J/mol×K	515.33	Calculated Property
Cp,gas	165.72	J/mol×K	596.11	Calculated Property
Cp,gas	173.15	J/mol×K	676.89	Calculated Property
Cp,gas	179.02	J/mol×K	757.67	Calculated Property
Cp,gas	183.73	J/mol×K	838.44	Calculated Property
Cp,gas	187.65	J/mol×K	919.22	Calculated Property
Cp,gas	191.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0138773; 0.0004431]	Pa×s	[223.60; 447.27]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11650e+01
Coefficient B			1.54005e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			223.60
Temperature range, max.			447.27
η	0.0138773	Pa×s	223.60	Calculated Property
η	0.0069679	Pa×s	248.45	Calculated Property
η	0.0039656	Pa×s	273.30	Calculated Property
η	0.0024793	Pa×s	298.16	Calculated Property
η	0.0016662	Pa×s	323.01	Calculated Property
η	0.0011852	Pa×s	347.86	Calculated Property
η	0.0008823	Pa×s	372.71	Calculated Property
η	0.0006814	Pa×s	397.56	Calculated Property
η	0.0005426	Pa×s	422.42	Calculated Property
η	0.0004431	Pa×s	447.27	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3-trichloropropanal.

Sources

• 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
• NIST Webbook

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