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

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

• 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 : 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
I	[970.00; 970.00]
I	970.00		NIST
I	970.00		NIST
Tboil	345.20	K	NIST
Tc	626.09	K	Relay (1.0) Calculated Property
Tfus	239.19	K	Relay (1.0) Calculated Property
Vc	0.225	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[91.22; 117.32]	J/mol×K	[370.77; 559.44]
Cp,gas	91.22	J/mol×K	370.77	Joback Calculated Property
Cp,gas	96.04	J/mol×K	402.22	Joback Calculated Property
Cp,gas	100.68	J/mol×K	433.66	Joback Calculated Property
Cp,gas	105.12	J/mol×K	465.11	Joback Calculated Property
Cp,gas	109.37	J/mol×K	496.55	Joback Calculated Property
Cp,gas	113.44	J/mol×K	528.00	Joback Calculated Property
Cp,gas	117.32	J/mol×K	559.44	Joback Calculated Property
η	[0.0003620; 0.0026884]	Pa×s	[215.50; 370.77]
η	0.0026884	Pa×s	215.50	Joback Calculated Property
η	0.0016091	Pa×s	241.38	Joback Calculated Property
η	0.0010637	Pa×s	267.26	Joback Calculated Property
η	0.0007565	Pa×s	293.13	Joback Calculated Property
η	0.0005686	Pa×s	319.01	Joback Calculated Property
η	0.0004461	Pa×s	344.89	Joback Calculated Property
η	0.0003620	Pa×s	370.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl glyoxal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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