Chemical Properties of Acetyl chloride, 2,2'-oxybis- (CAS 21062-20-4)

InChI

InChI=1S/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2

InChI Key

GTZXSBQCNBNWPK-UHFFFAOYSA-N

Formula

C4H4Cl2O3

SMILES

O=C(Cl)COCC(=O)Cl

Molecular Weight¹

170.98

CAS

21062-20-4

Other Names

• Diglycolyl chloride
• Oxydiacetyl dichloride
• Diglycolic dichloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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 vaporization 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	[134.40; 238.77]	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			6.52520e+01
Coefficient B			2.78200e-01
Coefficient C			-8.62000e-05
Coefficient D			-1.84800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.40	J/mol×K	273.00	Calculated Property
Cp,gas	152.07	J/mol×K	353.78	Calculated Property
Cp,gas	168.35	J/mol×K	434.56	Calculated Property
Cp,gas	183.20	J/mol×K	515.33	Calculated Property
Cp,gas	196.54	J/mol×K	596.11	Calculated Property
Cp,gas	208.34	J/mol×K	676.89	Calculated Property
Cp,gas	218.51	J/mol×K	757.67	Calculated Property
Cp,gas	227.02	J/mol×K	838.44	Calculated Property
Cp,gas	233.79	J/mol×K	919.22	Calculated Property
Cp,gas	238.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025238; 0.0004001]	Pa×s	[316.77; 491.01]	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			-1.11725e+01
Coefficient B			1.64419e+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.			316.77
Temperature range, max.			491.01
η	0.0025238	Pa×s	316.77	Calculated Property
η	0.0018717	Pa×s	336.13	Calculated Property
η	0.0014339	Pa×s	355.49	Calculated Property
η	0.0011292	Pa×s	374.85	Calculated Property
η	0.0009104	Pa×s	394.21	Calculated Property
η	0.0007489	Pa×s	413.57	Calculated Property
η	0.0006269	Pa×s	432.93	Calculated Property
η	0.0005329	Pa×s	452.29	Calculated Property
η	0.0004590	Pa×s	471.65	Calculated Property
η	0.0004001	Pa×s	491.01	Calculated Property

Similar Compounds

Find more compounds similar to Acetyl chloride, 2,2'-oxybis-.

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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