- InChI
- InChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3
- InChI Key
- QCZPJJIXHJSOMY-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CCCC(O)C(=O)OC
- Molecular Weight1
- 132.16
- CAS
- 7445-76-3
- Other Names
-
- Methyl 2-hydroxypentanoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ω | 0.6247 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -651.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.320 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 434.41 | K | Relay (1.0) Calculated Property |
| Tc | 627.61 | K | Relay (1.0) Calculated Property |
| Tfus | 247.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.73; 293.23] | J/mol×K | [486.84; 658.27] | 
|
| Cp,gas | 242.73 | J/mol×K | 486.84 | Joback Calculated Property |
| Cp,gas | 252.05 | J/mol×K | 515.41 | Joback Calculated Property |
| Cp,gas | 261.01 | J/mol×K | 543.98 | Joback Calculated Property |
| Cp,gas | 269.60 | J/mol×K | 572.55 | Joback Calculated Property |
| Cp,gas | 277.84 | J/mol×K | 601.12 | Joback Calculated Property |
| Cp,gas | 285.71 | J/mol×K | 629.70 | Joback Calculated Property |
| Cp,gas | 293.23 | J/mol×K | 658.27 | Joback Calculated Property |
| η | [0.0001535; 0.0685791] | Pa×s | [245.53; 486.84] |
|
| η | 0.0685791 | Pa×s | 245.53 | Joback Calculated Property |
| η | 0.0121260 | Pa×s | 285.75 | Joback Calculated Property |
| η | 0.0032880 | Pa×s | 325.97 | Joback Calculated Property |
| η | 0.0011875 | Pa×s | 366.18 | Joback Calculated Property |
| η | 0.0005247 | Pa×s | 406.40 | Joback Calculated Property |
| η | 0.0002686 | Pa×s | 446.62 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 486.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-hydroxy-, methyl ester.
Sources
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