- InChI
- InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
- InChI Key
- TYEYBOSBBBHJIV-UHFFFAOYSA-N
- Formula
- C4H6O3
- SMILES
- CCC(=O)C(=O)O
- Molecular Weight1
- 102.09
- CAS
- 600-18-0
- Other Names
-
- Butyric acid, 2-oxo-
- 2-Ketobutyric acid
- 2-Ketobutanoic acid
- «alpha»-Ketobutyric acid
- 2-Oxobutyric acid
- «alpha»-Keto-n-butyric acid
- «alpha»-Ketobutric acid
- «alpha»-Oxo-n-butyric acid
- Formic acid, propionyl-
- Pyruvic acid, methyl-
- 2-Oxobutanoic acid
- 3-Methylpyruvic acid
- NSC 60533
- 2-Oxo-n-butyric acid
- «alpha»-Oxobutyric acid
- alpha-Oxobutanoic acid
- 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).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -411.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.67 | kJ/mol | Joback Calculated Property |
| log10WS | 0.12 | Crippen Calculated Property | |
| logPoct/wat | 0.050 | Crippen Calculated Property | |
| McVol | 76.230 | ml/mol | McGowan Calculated Property |
| Pc | 5220.69 | kPa | Joback Calculated Property |
| Inp | [847.70; 847.70] |
|
|
| Inp | 847.70 | NIST | |
| Inp | 847.70 | NIST | |
| Tboil | 490.84 | K | Joback Calculated Property |
| Tc | 675.00 | K | Joback Calculated Property |
| Tfus | 295.52 | K | Joback Calculated Property |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.18; 187.03] | J/mol×K | [490.84; 675.00] |
|
| Cp,gas | 155.18 | J/mol×K | 490.84 | Joback Calculated Property |
| Cp,gas | 161.14 | J/mol×K | 521.53 | Joback Calculated Property |
| Cp,gas | 166.84 | J/mol×K | 552.23 | Joback Calculated Property |
| Cp,gas | 172.27 | J/mol×K | 582.92 | Joback Calculated Property |
| Cp,gas | 177.44 | J/mol×K | 613.62 | Joback Calculated Property |
| Cp,gas | 182.36 | J/mol×K | 644.31 | Joback Calculated Property |
| Cp,gas | 187.03 | J/mol×K | 675.00 | Joback Calculated Property |
| η | [0.0002376; 0.0117823] | Pa×s | [295.52; 490.84] |
|
| η | 0.0117823 | Pa×s | 295.52 | Joback Calculated Property |
| η | 0.0044513 | Pa×s | 328.07 | Joback Calculated Property |
| η | 0.0020048 | Pa×s | 360.63 | Joback Calculated Property |
| η | 0.0010304 | Pa×s | 393.18 | Joback Calculated Property |
| η | 0.0005863 | Pa×s | 425.73 | Joback Calculated Property |
| η | 0.0003615 | Pa×s | 458.29 | Joback Calculated Property |
| η | 0.0002376 | Pa×s | 490.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-oxo-.
Sources
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