- InChI
- InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
- InChI Key
- RILPIWOPNGRASR-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CCC(C)C(O)C(=O)O
- Molecular Weight1
- 132.16
- CAS
- 488-15-3
- Other Names
-
- 2-Hydroxy-3-methylpentanoic acid
- 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.
- 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° | -407.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.28 | kJ/mol | Joback Calculated Property |
| log10WS | -0.57 | Crippen Calculated Property | |
| logPoct/wat | 0.478 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 4266.28 | kPa | Joback Calculated Property |
| Inp | [1142.60; 1142.60] |
|
|
| Inp | 1142.60 | NIST | |
| Inp | 1142.60 | NIST | |
| Tboil | 574.03 | K | Joback Calculated Property |
| Tc | 745.52 | K | Joback Calculated Property |
| Tfus | 298.95 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.65; 312.20] | J/mol×K | [574.03; 745.52] |
|
| Cp,gas | 268.65 | J/mol×K | 574.03 | Joback Calculated Property |
| Cp,gas | 276.80 | J/mol×K | 602.61 | Joback Calculated Property |
| Cp,gas | 284.57 | J/mol×K | 631.19 | Joback Calculated Property |
| Cp,gas | 291.99 | J/mol×K | 659.77 | Joback Calculated Property |
| Cp,gas | 299.06 | J/mol×K | 688.35 | Joback Calculated Property |
| Cp,gas | 305.80 | J/mol×K | 716.93 | Joback Calculated Property |
| Cp,gas | 312.20 | J/mol×K | 745.52 | Joback Calculated Property |
| η | [0.0000469; 0.0791815] | Pa×s | [298.95; 574.03] |
|
| η | 0.0791815 | Pa×s | 298.95 | Joback Calculated Property |
| η | 0.0100700 | Pa×s | 344.80 | Joback Calculated Property |
| η | 0.0020780 | Pa×s | 390.64 | Joback Calculated Property |
| η | 0.0005974 | Pa×s | 436.49 | Joback Calculated Property |
| η | 0.0002177 | Pa×s | 482.34 | Joback Calculated Property |
| η | 0.0000945 | Pa×s | 528.18 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 574.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-hydroxy-3-methylvaleric acid.
Sources
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