Chemical Properties of Propanoyl chloride, 2,2-dichloro- (CAS 26073-26-7)

InChI

InChI=1S/C3H3Cl3O/c1-3(5,6)2(4)7/h1H3

InChI Key

IPKCHUGFUGHNRZ-UHFFFAOYSA-N

Formula

C3H3Cl3O

SMILES

CC(Cl)(Cl)C(=O)Cl

Molecular Weight¹

161.41

CAS

26073-26-7

Other Names

• Propionyl chloride, 2,2-dichloro-
• «alpha»,«alpha»-Dichloropropionyl chloride
• 2,2-Dichloropropionyl chloride
• 2,2-Dichloropropanoyl chloride

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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 Log10 of Water solubility in mol/l 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	[108.80; 189.40]	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			2.17200e+01
Coefficient B			4.07020e-01
Coefficient C			-3.53700e-04
Coefficient D			1.14360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.80	J/mol×K	273.00	Calculated Property
Cp,gas	126.51	J/mol×K	353.78	Calculated Property
Cp,gas	141.19	J/mol×K	434.56	Calculated Property
Cp,gas	153.19	J/mol×K	515.33	Calculated Property
Cp,gas	162.89	J/mol×K	596.11	Calculated Property
Cp,gas	170.64	J/mol×K	676.89	Calculated Property
Cp,gas	176.80	J/mol×K	757.67	Calculated Property
Cp,gas	181.74	J/mol×K	838.44	Calculated Property
Cp,gas	185.82	J/mol×K	919.22	Calculated Property
Cp,gas	189.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048742; 0.0004010]	Pa×s	[265.68; 455.24]	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			-1.13220e+01
Coefficient B			1.59361e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			265.68
Temperature range, max.			455.24
η	0.0048742	Pa×s	265.68	Calculated Property
η	0.0031373	Pa×s	286.74	Calculated Property
η	0.0021449	Pa×s	307.80	Calculated Property
η	0.0015395	Pa×s	328.87	Calculated Property
η	0.0011501	Pa×s	349.93	Calculated Property
η	0.0008880	Pa×s	370.99	Calculated Property
η	0.0007050	Pa×s	392.05	Calculated Property
η	0.0005731	Pa×s	413.12	Calculated Property
η	0.0004753	Pa×s	434.18	Calculated Property
η	0.0004010	Pa×s	455.24	Calculated Property

Similar Compounds

Find more compounds similar to Propanoyl chloride, 2,2-dichloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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