- InChI
- InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3
- InChI Key
- JOSNYUDSMPILKL-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- COC(=O)C(O)CC(C)C
- Molecular Weight1
- 146.18
- CAS
- 40348-72-9
- Other Names
-
- Valeric acid, 2-hydroxy-4-methyl-, methyl ester
- methyl 2-hydroxy-4-methylpentanoate
- 2-Hydroxyisocaproic acid, methyl ester
- methyl 2-hydroxy-4-methylvalerate
- 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° | -367.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -595.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.23 | kJ/mol | Joback Calculated Property |
| log10WS | -0.75 | Crippen Calculated Property | |
| logPoct/wat | 0.566 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| Inp | [966.00; 1013.00] |
|
|
| Inp | 1013.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 994.90 | NIST | |
| I | [1470.00; 1522.00] |
|
|
| I | 1516.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1522.00 | NIST | |
| Tboil | 527.15 | K | Joback Calculated Property |
| Tc | 703.42 | K | Joback Calculated Property |
| Tfus | 271.63 | K | Joback Calculated Property |
| Vc | 0.459 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.08; 345.13] | J/mol×K | [527.15; 703.42] |
|
| Cp,gas | 289.08 | J/mol×K | 527.15 | Joback Calculated Property |
| Cp,gas | 299.43 | J/mol×K | 556.53 | Joback Calculated Property |
| Cp,gas | 309.37 | J/mol×K | 585.91 | Joback Calculated Property |
| Cp,gas | 318.91 | J/mol×K | 615.28 | Joback Calculated Property |
| Cp,gas | 328.05 | J/mol×K | 644.66 | Joback Calculated Property |
| Cp,gas | 336.78 | J/mol×K | 674.04 | Joback Calculated Property |
| Cp,gas | 345.13 | J/mol×K | 703.42 | Joback Calculated Property |
| η | [0.0001175; 0.0314993] | Pa×s | [271.63; 527.15] |
|
| η | 0.0314993 | Pa×s | 271.63 | Joback Calculated Property |
| η | 0.0065975 | Pa×s | 314.22 | Joback Calculated Property |
| η | 0.0020069 | Pa×s | 356.80 | Joback Calculated Property |
| η | 0.0007868 | Pa×s | 399.39 | Joback Calculated Property |
| η | 0.0003695 | Pa×s | 441.98 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 484.56 | Joback Calculated Property |
| η | 0.0001175 | Pa×s | 527.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester.
Sources
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