Chemical Properties of Oxalyl chloride (CAS 79-37-8)

InChI

InChI=1S/C2Cl2O2/c3-1(5)2(4)6

InChI Key

CTSLXHKWHWQRSH-UHFFFAOYSA-N

Formula

C2Cl2O2

SMILES

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

Molecular Weight¹

126.93

CAS

79-37-8

Other Names

• (COCl)2
• Ethanedioyl chloride
• Ethanedioyl dichloride
• Oxalic acid dichloride
• Oxalic dichloride
• Oxaloyl chloride
• Oxalyl dichloride

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.4070		Relay (1.0) Calculated Property
ΔcH°liquid	-417.00 ± 2.00	kJ/mol	NIST
ΔfG°	-315.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-335.80 ± 6.30	kJ/mol	NIST
ΔfH°liquid	-367.60 ± 4.70	kJ/mol	NIST
ΔfusH°	12.53	kJ/mol	Joback Calculated Property
ΔvapH°	32.00 ± 4.00	kJ/mol	NIST
IE	[10.91; 11.33]	eV
IE	10.91 ± 0.05	eV	NIST
IE	11.33	eV	NIST
IE	11.26	eV	NIST
logPoct/wat	0.517		Crippen Calculated Property
McVol	66.660	ml/mol	McGowan Calculated Property
Pc	5422.51	kPa	Joback Calculated Property
Tboil	365.57	K	Relay (1.0) Calculated Property
Tc	605.60	K	Relay (1.0) Calculated Property
Tfus	269.05	K	Relay (1.0) Calculated Property
Vc	0.259	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[91.14; 105.55]	J/mol×K	[427.76; 640.17]
Cp,gas	91.14	J/mol×K	427.76	Joback Calculated Property
Cp,gas	93.97	J/mol×K	463.16	Joback Calculated Property
Cp,gas	96.63	J/mol×K	498.56	Joback Calculated Property
Cp,gas	99.11	J/mol×K	533.97	Joback Calculated Property
Cp,gas	101.43	J/mol×K	569.37	Joback Calculated Property
Cp,gas	103.57	J/mol×K	604.77	Joback Calculated Property
Cp,gas	105.55	J/mol×K	640.17	Joback Calculated Property
η	[0.0005165; 0.0030801]	Pa×s	[272.00; 427.76]
η	0.0030801	Pa×s	272.00	Joback Calculated Property
η	0.0020092	Pa×s	297.96	Joback Calculated Property
η	0.0014035	Pa×s	323.92	Joback Calculated Property
η	0.0010340	Pa×s	349.88	Joback Calculated Property
η	0.0007947	Pa×s	375.84	Joback Calculated Property
η	0.0006318	Pa×s	401.80	Joback Calculated Property
η	0.0005165	Pa×s	427.76	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Oxalyl chloride.

Sources

• Cheméo Relay (1.0)
• 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.