- InChI
- InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
- InChI Key
- HHLFWLYXYJOTON-UHFFFAOYSA-N
- Formula
- C2H2O3
- SMILES
- O=CC(=O)O
- Molecular Weight1
- 74.04
- CAS
- 298-12-4
- Other Names
-
- Acetic acid, 2-oxo-
- Formic acid, formyl-
- Formylformic acid
- Glyoxalic acid
- Glyoxylic acid
- Kyselina glyoxylova
- NSC 27785
- OCHCOOH
- Oxalaldehydic acid
- Oxoacetic acid
- Oxoethanoic acid
- «alpha»-Ketoacetic acid
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.6366 | Relay (1.0) Calculated Property | |
| ΔfG° | -477.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.61 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.730 | Crippen Calculated Property | |
| McVol | 48.050 | ml/mol | McGowan Calculated Property |
| Pc | 6430.83 | kPa | Joback Calculated Property |
| Tboil | 424.42 | K | Relay (1.0) Calculated Property |
| Tc | 690.34 | K | Relay (1.0) Calculated Property |
| Tfus | 371.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.187 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [66.44; 124.07] | 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 | 1.70700e+01 | |||
| Coefficient B | 2.19100e-01 | |||
| Coefficient C | -1.50600e-04 | |||
| Coefficient D | 3.85000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 66.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 77.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 87.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 95.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 102.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 108.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 113.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 117.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 121.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 124.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007074; 0.0003542] | Pa×s | [371.15; 450.33] |
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 | -1.11885e+01 | |||
| Coefficient B | 1.46033e+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. | 371.15 | |||
| Temperature range, max. | 450.33 | |||
| η | 0.0007074 | Pa×s | 371.15 | Calculated Property |
| η | 0.0006458 | Pa×s | 379.95 | Calculated Property |
| η | 0.0005920 | Pa×s | 388.75 | Calculated Property |
| η | 0.0005448 | Pa×s | 397.54 | Calculated Property |
| η | 0.0005032 | Pa×s | 406.34 | Calculated Property |
| η | 0.0004663 | Pa×s | 415.14 | Calculated Property |
| η | 0.0004334 | Pa×s | 423.94 | Calculated Property |
| η | 0.0004041 | Pa×s | 432.73 | Calculated Property |
| η | 0.0003778 | Pa×s | 441.53 | Calculated Property |
| η | 0.0003542 | Pa×s | 450.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, oxo-.
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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