- InChI
- InChI=1S/C6H12O3/c1-3-5(7)4-6(8)9-2/h5,7H,3-4H2,1-2H3
- InChI Key
- XHFXKKFVUDJSPJ-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CCC(O)CC(=O)OC
- Molecular Weight1
- 132.16
- CAS
- 56009-31-5
- Other Names
-
- Methyl 3-hydroxypentanoate
- 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).
- 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° | -373.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.40 | kJ/mol | Joback Calculated Property |
| log10WS | -0.57 | Crippen Calculated Property | |
| logPoct/wat | 0.320 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| I | [1540.00; 1552.00] |
|
|
| I | 1540.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1552.00 | NIST | |
| Tboil | 504.71 | K | Joback Calculated Property |
| Tc | 679.05 | K | Joback Calculated Property |
| Tfus | 275.36 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.76; 295.29] | J/mol×K | [504.71; 679.05] |
|
| Cp,gas | 245.76 | J/mol×K | 504.71 | Joback Calculated Property |
| Cp,gas | 254.84 | J/mol×K | 533.77 | Joback Calculated Property |
| Cp,gas | 263.60 | J/mol×K | 562.82 | Joback Calculated Property |
| Cp,gas | 272.02 | J/mol×K | 591.88 | Joback Calculated Property |
| Cp,gas | 280.10 | J/mol×K | 620.94 | Joback Calculated Property |
| Cp,gas | 287.86 | J/mol×K | 649.99 | Joback Calculated Property |
| Cp,gas | 295.29 | J/mol×K | 679.05 | Joback Calculated Property |
| η | [0.0001487; 0.0210426] | Pa×s | [275.36; 504.71] |
|
| η | 0.0210426 | Pa×s | 275.36 | Joback Calculated Property |
| η | 0.0055735 | Pa×s | 313.59 | Joback Calculated Property |
| η | 0.0019703 | Pa×s | 351.81 | Joback Calculated Property |
| η | 0.0008540 | Pa×s | 390.03 | Joback Calculated Property |
| η | 0.0004297 | Pa×s | 428.26 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 466.49 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 504.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 3-hydroxy-, methyl ester.
Sources
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