- InChI
- InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
- InChI Key
- CWKLZLBVOJRSOM-UHFFFAOYSA-N
- Formula
- C4H6O3
- SMILES
- COC(=O)C(C)=O
- Molecular Weight1
- 102.09
- CAS
- 600-22-6
- Other Names
-
- 2-oxopropanoic acid, methyl ester
- Methylglyoxylic acid methyl ester
- methyl 2-oxopropanoate
- methyl pyruvate
- pyruvic acid, methyl ester
- 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).
- 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.
- 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 | 0.4302 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | NIST |
| log10WS | 0.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.252 | Crippen Calculated Property | |
| McVol | 76.230 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Inp | [680.00; 710.00] |
|
|
| Inp | 701.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 701.00 | NIST | |
| I | [1180.00; 1217.00] |
|
|
| I | 1217.00 | NIST | |
| I | 1180.00 | NIST | |
| I | 1217.00 | NIST | |
| I | 1217.00 | NIST | |
| Tboil | [408.70; 411.00] | K |
|
| Tboil | 408.70 | K | NIST |
| Tboil | 411.00 ± 6.00 | K | NIST |
| Tboil | 410.70 ± 0.60 | K | NIST |
| Tc | 587.49 | K | Relay (1.0) Calculated Property |
| Tfus | 269.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.296 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.13; 176.35] | J/mol×K | [421.08; 613.71] |
|
| Cp,gas | 140.13 | J/mol×K | 421.08 | Joback Calculated Property |
| Cp,gas | 146.68 | J/mol×K | 453.18 | Joback Calculated Property |
| Cp,gas | 153.04 | J/mol×K | 485.29 | Joback Calculated Property |
| Cp,gas | 159.19 | J/mol×K | 517.39 | Joback Calculated Property |
| Cp,gas | 165.13 | J/mol×K | 549.50 | Joback Calculated Property |
| Cp,gas | 170.85 | J/mol×K | 581.60 | Joback Calculated Property |
| Cp,gas | 176.35 | J/mol×K | 613.71 | Joback Calculated Property |
| η | [0.0003324; 0.0023950] | Pa×s | [256.93; 421.08] |
|
| η | 0.0023950 | Pa×s | 256.93 | Joback Calculated Property |
| η | 0.0014709 | Pa×s | 284.29 | Joback Calculated Property |
| η | 0.0009841 | Pa×s | 311.65 | Joback Calculated Property |
| η | 0.0007025 | Pa×s | 339.00 | Joback Calculated Property |
| η | 0.0005274 | Pa×s | 366.36 | Joback Calculated Property |
| η | 0.0004120 | Pa×s | 393.72 | Joback Calculated Property |
| η | 0.0003324 | Pa×s | 421.08 | Joback Calculated Property |
| Pvap | [0.17; 1.23] | kPa | [279.40; 307.80] |
|
| Pvap | 0.18 | kPa | 279.40 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.17 | kPa | 279.40 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.19 | kPa | 280.90 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.23 | kPa | 282.40 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.25 | kPa | 283.80 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.30 | kPa | 286.20 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.29 | kPa | 286.20 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.30 | kPa | 287.00 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.36 | kPa | 289.20 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.43 | kPa | 291.00 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.53 | kPa | 294.90 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.71 | kPa | 298.90 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 0.92 | kPa | 302.90 | Thermodynamic properties of pyruvic acid and its methyl ester |
| Pvap | 1.23 | kPa | 307.80 | Thermodynamic properties of pyruvic acid and its methyl ester |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-oxo-, methyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic properties of pyruvic acid and its methyl ester
- Joback Method
- McGowan Method
- NIST Webbook
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