- InChI
- InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
- InChI Key
- XYVQFUJDGOBPQI-UHFFFAOYSA-N
- Formula
- C5H10O3
- SMILES
- COC(=O)C(C)(C)O
- Molecular Weight1
- 118.13
- Other Names
-
- Methyl «alpha»-hydroxyisobutyrate
- Lactic acid, 2-methyl-, methyl ester
- Methyl 2-hydroxy-2-methylpropionate
- Methyl 2-hydroxyisobutyrate
- Methyl 2-methyllactate
- Methyl ester of 2-methyllactic acid
- 2-Hydroxyisobutyric acid, methyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -632.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.070 | Crippen Calculated Property | |
| McVol | 94.620 | ml/mol | McGowan Calculated Property |
| Inp | [1116.00; 1118.00] |
|
|
| Inp | 1118.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Tboil | 410.20 | K | NIST |
| Tfus | 250.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.31; 251.75] | J/mol×K | [461.17; 640.60] |
|
| Cp,gas | 205.31 | J/mol×K | 461.17 | Joback Calculated Property |
| Cp,gas | 214.12 | J/mol×K | 491.08 | Joback Calculated Property |
| Cp,gas | 222.49 | J/mol×K | 520.98 | Joback Calculated Property |
| Cp,gas | 230.42 | J/mol×K | 550.89 | Joback Calculated Property |
| Cp,gas | 237.94 | J/mol×K | 580.79 | Joback Calculated Property |
| Cp,gas | 245.04 | J/mol×K | 610.70 | Joback Calculated Property |
| Cp,gas | 251.75 | J/mol×K | 640.60 | Joback Calculated Property |
| η | [0.0002007; 0.0571292] | Pa×s | [251.68; 461.17] |
|
| η | 0.0571292 | Pa×s | 251.68 | Joback Calculated Property |
| η | 0.0125497 | Pa×s | 286.60 | Joback Calculated Property |
| η | 0.0038315 | Pa×s | 321.51 | Joback Calculated Property |
| η | 0.0014759 | Pa×s | 356.42 | Joback Calculated Property |
| η | 0.0006740 | Pa×s | 391.34 | Joback Calculated Property |
| η | 0.0003500 | Pa×s | 426.25 | Joback Calculated Property |
| η | 0.0002007 | Pa×s | 461.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-hydroxy-2-methyl-, methyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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