Chemical Properties of Methyl glyoxal (CAS 78-98-8)

InChI

InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3

InChI Key

AIJULSRZWUXGPQ-UHFFFAOYSA-N

Formula

C3H4O2

SMILES

CC(=O)C=O

Molecular Weight¹

72.06

CAS

78-98-8

Other Names

• 1,2-Propanedione
• 1-Ketopropionaldehyde
• 2-Ketopropionaldehyde
• 2-Oxopropanal
• 2-Oxopropionaldehyde
• Acetylformaldehyde
• Acetylformyl
• CH3COCHO
• Glyoxal, methyl
• NSC 626580
• NSC 79019
• Propanal, 2-oxo-
• Propanedione
• Propanolone
• Propionaldehyde, 2-keto
• Propionaldehyde, 2-oxo-
• Pyroracemic aldehyde
• Pyruvaldehyde
• Pyruvic aldehyde
• «alpha»-Ketopropionaldehyde

• 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).
• 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).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.3918		Relay (1.0) Calculated Property
ΔcH°liquid	[-1446.00; -1443.00]	kJ/mol
ΔcH°liquid	-1443.00 ± 4.20	kJ/mol	NIST
ΔcH°liquid	-1446.00	kJ/mol	NIST
ΔfG°	-254.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-271.00 ± 5.00	kJ/mol	NIST
ΔfH°liquid	-309.00 ± 4.20	kJ/mol	NIST
ΔfusH°	7.41	kJ/mol	Joback Calculated Property
ΔvapH°	[38.00; 38.00]	kJ/mol
ΔvapH°	38.00 ± 2.00	kJ/mol	NIST
ΔvapH°	38.00	kJ/mol	NIST
IE	[9.60; 10.00]	eV
IE	9.60 ± 0.06	eV	NIST
IE	10.00	eV	NIST
log10WS	0.80		Relay (1.0) Calculated Property
logPoct/wat	-0.226		Crippen Calculated Property
McVol	56.270	ml/mol	McGowan Calculated Property
Pc	5335.72	kPa	Joback Calculated Property
Ip	[970.00; 970.00]
Ip	970.00		NIST
Ip	970.00		NIST
Tboil	345.20	K	NIST
Tc	626.09	K	Relay (1.0) Calculated Property
Tfus	211.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.225	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[74.96; 153.90]	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			1.89200e+01
Coefficient B			2.35320e-01
Coefficient C			-1.13700e-04
Coefficient D			1.33600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	74.96	J/mol×K	273.00	Calculated Property
Cp,gas	88.53	J/mol×K	353.78	Calculated Property
Cp,gas	100.81	J/mol×K	434.56	Calculated Property
Cp,gas	111.82	J/mol×K	515.33	Calculated Property
Cp,gas	121.62	J/mol×K	596.11	Calculated Property
Cp,gas	130.25	J/mol×K	676.89	Calculated Property
Cp,gas	137.75	J/mol×K	757.67	Calculated Property
Cp,gas	144.17	J/mol×K	838.44	Calculated Property
Cp,gas	149.54	J/mol×K	919.22	Calculated Property
Cp,gas	153.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029671; 0.0003122]	Pa×s	[211.15; 391.61]	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			-1.07065e+01
Coefficient B			1.03174e+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.			211.15
Temperature range, max.			391.61
η	0.0029671	Pa×s	211.15	Calculated Property
η	0.0019422	Pa×s	231.20	Calculated Property
η	0.0013603	Pa×s	251.25	Calculated Property
η	0.0010042	Pa×s	271.30	Calculated Property
η	0.0007730	Pa×s	291.35	Calculated Property
η	0.0006154	Pa×s	311.41	Calculated Property
η	0.0005036	Pa×s	331.46	Calculated Property
η	0.0004217	Pa×s	351.51	Calculated Property
η	0.0003599	Pa×s	371.56	Calculated Property
η	0.0003122	Pa×s	391.61	Calculated Property

Similar Compounds

Find more compounds similar to Methyl glyoxal.

Sources

• 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
• McGowan Method
• NIST Webbook

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