- 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
- CAS
- 2110-78-3
- 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
- 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).
- 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 | 0.5893 | Relay (1.0) Calculated Property | |
| ΔfG° | -376.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.070 | Crippen Calculated Property | |
| McVol | 94.620 | ml/mol | McGowan Calculated Property |
| Pc | 4211.09 | kPa | Joback Calculated Property |
| Inp | [1116.00; 1118.00] |
|
|
| Inp | 1118.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Tboil | 410.20 | K | NIST |
| Tc | 600.02 | K | Relay (1.0) Calculated Property |
| Tfus | 256.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.95; 253.01] | J/mol×K | [479.04; 661.63] |
|
| Cp,gas | 207.95 | J/mol×K | 479.04 | Joback Calculated Property |
| Cp,gas | 216.44 | J/mol×K | 509.47 | Joback Calculated Property |
| Cp,gas | 224.53 | J/mol×K | 539.90 | Joback Calculated Property |
| Cp,gas | 232.21 | J/mol×K | 570.34 | Joback Calculated Property |
| Cp,gas | 239.51 | J/mol×K | 600.77 | Joback Calculated Property |
| Cp,gas | 246.44 | J/mol×K | 631.20 | Joback Calculated Property |
| Cp,gas | 253.01 | J/mol×K | 661.63 | Joback Calculated Property |
| η | [0.0001875; 0.0178299] | Pa×s | [281.51; 479.04] |
|
| η | 0.0178299 | Pa×s | 281.51 | Joback Calculated Property |
| η | 0.0056086 | Pa×s | 314.43 | Joback Calculated Property |
| η | 0.0021967 | Pa×s | 347.35 | Joback Calculated Property |
| η | 0.0010120 | Pa×s | 380.27 | Joback Calculated Property |
| η | 0.0005275 | Pa×s | 413.20 | Joback Calculated Property |
| η | 0.0003027 | Pa×s | 446.12 | Joback Calculated Property |
| η | 0.0001875 | Pa×s | 479.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-hydroxy-2-methyl-, methyl ester.
Sources
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