Chemical Properties of Glyoxal (CAS 107-22-2)

InChI

InChI=1S/C2H2O2/c3-1-2-4/h1-2H

InChI Key

LEQAOMBKQFMDFZ-UHFFFAOYSA-N

Formula

C2H2O2

SMILES

O=CC=O

Molecular Weight¹

58.04

CAS

107-22-2

Other Names

• (CHO)2
• 1,2-Ethanedione
• Aerotex glyoxal 40
• Biformal
• Biformyl
• Diformal
• Diformyl
• Ethandial
• Ethane-1,2-dione
• Ethanedial
• Ethanedione
• Glyoxal aldehyde
• Glyoxylaldehyde
• ODIX
• Oxal
• Oxalaldehyde
• Protectol GL 40

• ω : Acentric Factor.
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4178		Relay (1.0) Calculated Property
ΔcH°gas	-860.90 ± 0.75	kJ/mol	NIST
EA	0.62 ± 0.26	eV	NIST
ΔfG°	-233.08	kJ/mol	Joback Calculated Property
ΔfH°gas	[-212.41; -212.00]	kJ/mol
ΔfH°gas	-212.41 ± 0.59	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	-212.00 ± 0.79	kJ/mol	NIST
ΔfusH°	5.51	kJ/mol	Joback Calculated Property
IE	[9.48; 10.60]	eV
IE	10.20	eV	NIST
IE	10.20	eV	NIST
IE	10.21	eV	NIST
IE	Outlier 9.48 ± 0.08	eV	NIST
IE	10.60 ± 0.05	eV	NIST
IE	10.60	eV	NIST
IE	10.60	eV	NIST
IE	10.52	eV	NIST
log10WS	1.02		Relay (1.0) Calculated Property
logPoct/wat	-0.616		Crippen Calculated Property
McVol	42.180	ml/mol	McGowan Calculated Property
Pc	6278.87	kPa	Joback Calculated Property
Tboil	323.60	K	NIST
Tc	564.20	K	Relay (1.0) Calculated Property
Tfus	288.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions 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	[57.73; 104.07]	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			2.38700e+01
Coefficient B			1.42800e-01
Coefficient C			-7.10000e-05
Coefficient D			8.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	57.73	J/mol×K	273.00	Calculated Property
Cp,gas	65.88	J/mol×K	353.78	Calculated Property
Cp,gas	73.21	J/mol×K	434.56	Calculated Property
Cp,gas	79.75	J/mol×K	515.33	Calculated Property
Cp,gas	85.54	J/mol×K	596.11	Calculated Property
Cp,gas	90.60	J/mol×K	676.89	Calculated Property
Cp,gas	94.96	J/mol×K	757.67	Calculated Property
Cp,gas	98.64	J/mol×K	838.44	Calculated Property
Cp,gas	101.67	J/mol×K	919.22	Calculated Property
Cp,gas	104.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005536; 0.0002841]	Pa×s	[288.15; 368.25]	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			-1.05669e+01
Coefficient B			8.84020e+02
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.			288.15
Temperature range, max.			368.25
η	0.0005536	Pa×s	288.15	Calculated Property
η	0.0005050	Pa×s	297.05	Calculated Property
η	0.0004631	Pa×s	305.95	Calculated Property
η	0.0004268	Pa×s	314.85	Calculated Property
η	0.0003951	Pa×s	323.75	Calculated Property
η	0.0003673	Pa×s	332.65	Calculated Property
η	0.0003427	Pa×s	341.55	Calculated Property
η	0.0003209	Pa×s	350.45	Calculated Property
η	0.0003015	Pa×s	359.35	Calculated Property
η	0.0002841	Pa×s	368.25	Calculated Property

Similar Compounds

Find more compounds similar to Glyoxal.

Sources

• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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