Chemical Properties of Acetic acid, chloro-, anhydride

InChI

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

InChI Key

PNVPNXKRAUBJGW-UHFFFAOYSA-N

Formula

C4H4Cl2O3

SMILES

O=C(CCl)OC(=O)CCl

Molecular Weight¹

170.98

Other Names

• Chloracetic anhydride
• Chloroacetic acid anhydride
• Chloroacetic anhydride
• Chloroacetyl anhydride
• Monochloroacetic acid anhydride
• 2-Chloroacetic anhydride
• Monochloroacetic 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-650.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.48	kJ/mol	Joback Calculated Property
ΔvapH°	46.84	kJ/mol	Relay (1.0) Calculated Property
IE	10.76	eV	Relay (1.0) Calculated Property
log10WS	-1.41		Relay (1.0) Calculated Property
logPoct/wat	0.534		Crippen Calculated Property
McVol	100.710	ml/mol	McGowan Calculated Property
Inp	[1116.00; 1116.00]
Inp	1116.00		NIST
Inp	1116.00		NIST
Tboil	476.20	K	NIST
Tfus	320.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.20; 211.98]	J/mol×K	[478.07; 680.20]
Cp,gas	179.20	J/mol×K	478.07	Joback Calculated Property
Cp,gas	185.46	J/mol×K	511.76	Joback Calculated Property
Cp,gas	191.41	J/mol×K	545.45	Joback Calculated Property
Cp,gas	197.03	J/mol×K	579.14	Joback Calculated Property
Cp,gas	202.34	J/mol×K	612.83	Joback Calculated Property
Cp,gas	207.32	J/mol×K	646.52	Joback Calculated Property
Cp,gas	211.98	J/mol×K	680.20	Joback Calculated Property
η	[0.0003640; 0.0037065]	Pa×s	[286.94; 478.07]
η	0.0037065	Pa×s	286.94	Joback Calculated Property
η	0.0020752	Pa×s	318.80	Joback Calculated Property
η	0.0012910	Pa×s	350.65	Joback Calculated Property
η	0.0008692	Pa×s	382.50	Joback Calculated Property
η	0.0006219	Pa×s	414.36	Joback Calculated Property
η	0.0004668	Pa×s	446.22	Joback Calculated Property
η	0.0003640	Pa×s	478.07	Joback Calculated Property
ΔvapH	61.80	kJ/mol	415.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Acetic acid, chloro-, 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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