Chemical Properties of Dichloroacetic anhydride (CAS 4124-30-5)

InChI

InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H

InChI Key

RQHMQURGSQBBJY-UHFFFAOYSA-N

Formula

C4H2Cl4O3

SMILES

O=C(OC(=O)C(Cl)Cl)C(Cl)Cl

Molecular Weight¹

239.87

CAS

4124-30-5

Other Names

• Dichloroacetetic anhydride
• Acetic acid, dichloro-, anhydride
• Dichloroacetic acid anhydride
• Anhydrid kyseliny dichloroctove
• 2,2'-dichloroacetic anhydride

• 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).
• 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).
• 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, 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	[160.59; 256.98]	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			8.02200e+01
Coefficient B			3.40000e-01
Coefficient C			-1.68500e-04
Coefficient D			5.26000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.59	J/mol×K	273.00	Calculated Property
Cp,gas	179.65	J/mol×K	353.78	Calculated Property
Cp,gas	196.58	J/mol×K	434.56	Calculated Property
Cp,gas	211.40	J/mol×K	515.33	Calculated Property
Cp,gas	224.14	J/mol×K	596.11	Calculated Property
Cp,gas	234.79	J/mol×K	676.89	Calculated Property
Cp,gas	243.39	J/mol×K	757.67	Calculated Property
Cp,gas	249.94	J/mol×K	838.44	Calculated Property
Cp,gas	254.46	J/mol×K	919.22	Calculated Property
Cp,gas	256.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047887; 0.0003119]	Pa×s	[316.78; 541.70]	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			-1.19199e+01
Coefficient B			2.08391e+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.			316.78
Temperature range, max.			541.70
η	0.0047887	Pa×s	316.78	Calculated Property
η	0.0029602	Pa×s	341.77	Calculated Property
η	0.0019538	Pa×s	366.76	Calculated Property
η	0.0013598	Pa×s	391.75	Calculated Property
η	0.0009884	Pa×s	416.74	Calculated Property
η	0.0007448	Pa×s	441.73	Calculated Property
η	0.0005786	Pa×s	466.72	Calculated Property
η	0.0004611	Pa×s	491.71	Calculated Property
η	0.0003757	Pa×s	516.71	Calculated Property
η	0.0003119	Pa×s	541.70	Calculated Property

Similar Compounds

Find more compounds similar to Dichloroacetic anhydride.

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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