- InChI
- InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3
- InChI Key
- YSGBMDFJWFIEDF-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- COC(=O)C(O)C(C)C
- Molecular Weight1
- 132.16
- CAS
- 17417-00-4
- Other Names
-
- Butanoic acid, 2-hydroxy-3-methyl-, methyl ester
- Methyl 2-hydroxy-3-methylbutanoate
- Methyl 2-hydroxy-3-methylbutyrate
- Methyl 3-methyl 2-hydroxybutanoate
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -375.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.01 | kJ/mol | Joback Calculated Property |
| log10WS | -0.33 | Crippen Calculated Property | |
| logPoct/wat | 0.176 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3718.02 | kPa | Joback Calculated Property |
| Inp | [889.00; 889.00] |
|
|
| Inp | 889.00 | NIST | |
| Inp | 889.00 | NIST | |
| I | [1383.00; 1396.00] |
|
|
| I | 1383.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1383.00 | NIST | |
| Tboil | 504.27 | K | Joback Calculated Property |
| Tc | 682.14 | K | Joback Calculated Property |
| Tfus | 260.36 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.04; 296.77] | J/mol×K | [504.27; 682.14] |
|
| Cp,gas | 246.04 | J/mol×K | 504.27 | Joback Calculated Property |
| Cp,gas | 255.38 | J/mol×K | 533.92 | Joback Calculated Property |
| Cp,gas | 264.36 | J/mol×K | 563.56 | Joback Calculated Property |
| Cp,gas | 272.99 | J/mol×K | 593.21 | Joback Calculated Property |
| Cp,gas | 281.27 | J/mol×K | 622.85 | Joback Calculated Property |
| Cp,gas | 289.19 | J/mol×K | 652.50 | Joback Calculated Property |
| Cp,gas | 296.77 | J/mol×K | 682.14 | Joback Calculated Property |
| η | [0.0001409; 0.0398736] | Pa×s | [260.36; 504.27] |
|
| η | 0.0398736 | Pa×s | 260.36 | Joback Calculated Property |
| η | 0.0082434 | Pa×s | 301.01 | Joback Calculated Property |
| η | 0.0024799 | Pa×s | 341.66 | Joback Calculated Property |
| η | 0.0009632 | Pa×s | 382.31 | Joback Calculated Property |
| η | 0.0004487 | Pa×s | 422.97 | Joback Calculated Property |
| η | 0.0002390 | Pa×s | 463.62 | Joback Calculated Property |
| η | 0.0001409 | Pa×s | 504.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-hydroxy-3-methyl-, methyl ester.
Sources
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