- InChI
- InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
- InChI Key
- LCTONWCANYUPML-UHFFFAOYSA-N
- Formula
- C3H4O3
- SMILES
- CC(=O)C(=O)O
- Molecular Weight1
- 88.06
- CAS
- 127-17-3
- Other Names
-
- 2-oxopropanoic acid
- 2-oxopropionic acid
- Acetylformic acid
- BTS
- CH3COCOOH
- Pyroracemic Acid
- pyruvic acid
- «alpha»-Ketopropionic acid
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 0.6200 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -1165.30 | kJ/mol | NIST |
| ΔcH°solid | -1166.40 | kJ/mol | NIST |
| ΔfG° | -498.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.90; 10.42] | eV |
|
| IE | 9.90 | eV | NIST |
| IE | 10.42 | eV | NIST |
| log10WS | 0.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.340 | Crippen Calculated Property | |
| McVol | 62.140 | ml/mol | McGowan Calculated Property |
| Pc | 5454.60 | kPa | Joback Calculated Property |
| Inp | [1249.00; 1249.00] |
|
|
| Inp | 1249.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Tboil | 438.20 | K | NIST |
| Tc | 675.99 | K | Relay (1.0) Calculated Property |
| Tfus | 327.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.249 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.02; 147.69] | J/mol×K | [467.62; 674.39] |
|
| Cp,gas | 120.02 | J/mol×K | 467.62 | Joback Calculated Property |
| Cp,gas | 125.35 | J/mol×K | 502.08 | Joback Calculated Property |
| Cp,gas | 130.38 | J/mol×K | 536.54 | Joback Calculated Property |
| Cp,gas | 135.12 | J/mol×K | 571.01 | Joback Calculated Property |
| Cp,gas | 139.58 | J/mol×K | 605.47 | Joback Calculated Property |
| Cp,gas | 143.77 | J/mol×K | 639.93 | Joback Calculated Property |
| Cp,gas | 147.69 | J/mol×K | 674.39 | Joback Calculated Property |
| η | [0.0003590; 0.0014189] | Pa×s | [334.10; 467.62] |
|
| η | 0.0014189 | Pa×s | 334.10 | Joback Calculated Property |
| η | 0.0010505 | Pa×s | 356.35 | Joback Calculated Property |
| η | 0.0008058 | Pa×s | 378.61 | Joback Calculated Property |
| η | 0.0006365 | Pa×s | 400.86 | Joback Calculated Property |
| η | 0.0005155 | Pa×s | 423.11 | Joback Calculated Property |
| η | 0.0004263 | Pa×s | 445.37 | Joback Calculated Property |
| η | 0.0003590 | Pa×s | 467.62 | Joback Calculated Property |
| ΔvapH | 51.40 | kJ/mol | 366.00 | NIST |
| Pvap | [0.29; 1.52] | kPa | [308.20; 336.40] |
|
| Pvap | 0.29 | kPa | 308.20 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.38 | kPa | 313.30 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.38 | kPa | 313.30 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.43 | kPa | 315.90 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.45 | kPa | 316.80 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.51 | kPa | 318.30 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.60 | kPa | 320.90 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.60 | kPa | 320.90 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.80 | kPa | 325.80 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 1.09 | kPa | 330.80 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 1.27 | kPa | 333.20 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 1.52 | kPa | 336.40 | Thermodynamic properties of pyruvic acid and its methyl ester |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.71] | kPa | [331.70; 384.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 3.45292e+01 | |||
| Coefficient B | -1.05077e+04 | |||
| Coefficient C | -2.48320e+01 | |||
| Temperature range, min. | 331.70 | |||
| Temperature range, max. | 384.47 | |||
| Pvap | 1.33 | kPa | 331.70 | Calculated Property |
| Pvap | 2.53 | kPa | 337.56 | Calculated Property |
| Pvap | 4.70 | kPa | 343.43 | Calculated Property |
| Pvap | 8.53 | kPa | 349.29 | Calculated Property |
| Pvap | 15.16 | kPa | 355.15 | Calculated Property |
| Pvap | 26.40 | kPa | 361.02 | Calculated Property |
| Pvap | 45.12 | kPa | 366.88 | Calculated Property |
| Pvap | 75.71 | kPa | 372.74 | Calculated Property |
| Pvap | 124.90 | kPa | 378.61 | Calculated Property |
| Pvap | 202.71 | kPa | 384.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-oxo-.
Mixtures
- Cyclohexanol + Propanoic acid, 2-oxo- + Water
- Propanoic acid, 2-oxo- + 1-Decanol + Water
- Benzenemethanol, «alpha»-methyl- + Propanoic acid, 2-oxo- + Water
- Propanoic acid, 2-oxo- + 1-Hexanol + Water
- Trichloromethane + Propanoic acid, 2-oxo- + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid liquid equilibria for the system (water + carboxylic acid + chloroform): Thermodynamic modeling
- Phase equilibria for ternary liquid systems of (water + carboxylic acid or alcohol + 1-hexanol) at T = 293.15 K: modelling considerations
- Phase equilibria of ternary systems (water + pyruvic acid + high boiling alcohol). Thermodynamic modeling and optimization of extraction
- Crystal structure and thermochemical properties of a novel coordination compound sodium pyruvate C3H3O3Na(s)
- Thermodynamic properties of pyruvic acid and its methyl ester
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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