- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.29; 356.19] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.64520e+01 | |||
| Coefficient B | 5.58940e-01 | |||
| Coefficient C | -2.41600e-04 | |||
| Coefficient D | 1.24000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 297.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 316.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 332.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 345.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 356.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0685791; 0.0002181] | Pa×s | [245.53; 460.79] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.49900e+01 | |||
| Coefficient B | 3.02253e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 245.53 | |||
| Temperature range, max. | 460.79 | |||
| η | 0.0685791 | Pa×s | 245.53 | Calculated Property |
| η | 0.0229949 | Pa×s | 269.45 | Calculated Property |
| η | 0.0092141 | Pa×s | 293.36 | Calculated Property |
| η | 0.0042379 | Pa×s | 317.28 | Calculated Property |
| η | 0.0021734 | Pa×s | 341.20 | Calculated Property |
| η | 0.0012165 | Pa×s | 365.12 | Calculated Property |
| η | 0.0007313 | Pa×s | 389.03 | Calculated Property |
| η | 0.0004663 | Pa×s | 412.95 | Calculated Property |
| η | 0.0003123 | Pa×s | 436.87 | Calculated Property |
| η | 0.0002181 | Pa×s | 460.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-hydroxy-, methyl ester.
Sources
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