- 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.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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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 |
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 | [0.0026884; 0.0003122] | Pa×s | [215.50; 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. | 215.50 | |||
| Temperature range, max. | 391.61 | |||
| η | 0.0026884 | Pa×s | 215.50 | Calculated Property |
| η | 0.0018047 | Pa×s | 235.07 | Calculated Property |
| η | 0.0012880 | Pa×s | 254.64 | Calculated Property |
| η | 0.0009646 | Pa×s | 274.20 | Calculated Property |
| η | 0.0007508 | Pa×s | 293.77 | Calculated Property |
| η | 0.0006029 | Pa×s | 313.34 | Calculated Property |
| η | 0.0004968 | Pa×s | 332.91 | Calculated Property |
| η | 0.0004183 | Pa×s | 352.47 | Calculated Property |
| η | 0.0003586 | Pa×s | 372.04 | Calculated Property |
| η | 0.0003122 | Pa×s | 391.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl glyoxal.
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