- InChI
- InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
- InChI Key
- ACCRBMDJCPPJDX-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- CCCC(O)CC(=O)OC
- Molecular Weight1
- 146.18
- CAS
- 21188-58-9
- Other Names
-
- Methyl 3-hydroxycaproate
- Methyl 3-hydroxyhexanoate
- 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° | -365.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -590.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.62 | kJ/mol | Joback Calculated Property |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 0.710 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | [1019.00; 1049.00] |
|
|
| Inp | 1026.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1049.00 | NIST | |
| I | [1626.00; 1643.00] |
|
|
| I | 1631.00 | NIST | |
| I | 1628.00 | NIST | |
| I | 1643.00 | NIST | |
| I | 1640.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1637.00 | NIST | |
| I | 1640.00 | NIST | |
| I | 1626.00 | NIST | |
| I | 1630.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1626.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1640.00 | NIST | |
| I | 1639.00 | NIST | |
| Tboil | 527.59 | K | Joback Calculated Property |
| Tc | 700.51 | K | Joback Calculated Property |
| Tfus | 286.63 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.76; 343.59] | J/mol×K | [527.59; 700.51] |
|
| Cp,gas | 288.76 | J/mol×K | 527.59 | Joback Calculated Property |
| Cp,gas | 298.85 | J/mol×K | 556.41 | Joback Calculated Property |
| Cp,gas | 308.56 | J/mol×K | 585.23 | Joback Calculated Property |
| Cp,gas | 317.88 | J/mol×K | 614.05 | Joback Calculated Property |
| Cp,gas | 326.83 | J/mol×K | 642.87 | Joback Calculated Property |
| Cp,gas | 335.40 | J/mol×K | 671.69 | Joback Calculated Property |
| Cp,gas | 343.59 | J/mol×K | 700.51 | Joback Calculated Property |
| η | [0.0001245; 0.0172601] | Pa×s | [286.63; 527.59] |
|
| η | 0.0172601 | Pa×s | 286.63 | Joback Calculated Property |
| η | 0.0045782 | Pa×s | 326.79 | Joback Calculated Property |
| η | 0.0016237 | Pa×s | 366.95 | Joback Calculated Property |
| η | 0.0007065 | Pa×s | 407.11 | Joback Calculated Property |
| η | 0.0003570 | Pa×s | 447.27 | Joback Calculated Property |
| η | 0.0002019 | Pa×s | 487.43 | Joback Calculated Property |
| η | 0.0001245 | Pa×s | 527.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3-hydroxy-, methyl ester.
Sources
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