- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.93; 305.53] | 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 | 4.57000e+00 | |||
| Coefficient B | 5.83860e-01 | |||
| Coefficient C | -3.55800e-04 | |||
| Coefficient D | 7.29000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 220.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 241.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 259.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 297.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 305.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0571292; 0.0002434] | Pa×s | [251.68; 448.42] |
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 | -1.53032e+01 | |||
| Coefficient B | 3.13109e+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. | 251.68 | |||
| Temperature range, max. | 448.42 | |||
| η | 0.0571292 | Pa×s | 251.68 | Calculated Property |
| η | 0.0211385 | Pa×s | 273.54 | Calculated Property |
| η | 0.0090614 | Pa×s | 295.40 | Calculated Property |
| η | 0.0043653 | Pa×s | 317.26 | Calculated Property |
| η | 0.0023106 | Pa×s | 339.12 | Calculated Property |
| η | 0.0013210 | Pa×s | 360.98 | Calculated Property |
| η | 0.0008050 | Pa×s | 382.84 | Calculated Property |
| η | 0.0005175 | Pa×s | 404.70 | Calculated Property |
| η | 0.0003481 | Pa×s | 426.56 | Calculated Property |
| η | 0.0002434 | Pa×s | 448.42 | 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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