- InChI
- InChI=1S/C6H10O4/c1-4(7)10-6(2,3)5(8)9/h1-3H3,(H,8,9)
- InChI Key
- NIWFXRKHWKGFMT-UHFFFAOYSA-N
- Formula
- C6H10O4
- SMILES
- CC(=O)OC(C)(C)C(=O)O
- Molecular Weight1
- 146.14
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -831.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.413 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Inp | 1092.00 | NIST | |
| Tboil | 467.48 | K | Relay (1.0) Calculated Property |
| Tfus | 330.89 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [262.14; 312.40] | J/mol×K | [537.38; 743.28] | 
|
| Cp,gas | 262.14 | J/mol×K | 537.38 | Joback Calculated Property |
| Cp,gas | 272.06 | J/mol×K | 571.70 | Joback Calculated Property |
| Cp,gas | 281.33 | J/mol×K | 606.01 | Joback Calculated Property |
| Cp,gas | 289.97 | J/mol×K | 640.33 | Joback Calculated Property |
| Cp,gas | 298.01 | J/mol×K | 674.65 | Joback Calculated Property |
| Cp,gas | 305.48 | J/mol×K | 708.96 | Joback Calculated Property |
| Cp,gas | 312.40 | J/mol×K | 743.28 | Joback Calculated Property |
| η | [0.0002297; 0.0017632] | Pa×s | [362.73; 537.38] |
|
| η | 0.0017632 | Pa×s | 362.73 | Joback Calculated Property |
| η | 0.0011066 | Pa×s | 391.84 | Joback Calculated Property |
| η | 0.0007407 | Pa×s | 420.95 | Joback Calculated Property |
| η | 0.0005222 | Pa×s | 450.05 | Joback Calculated Property |
| η | 0.0003842 | Pa×s | 479.16 | Joback Calculated Property |
| η | 0.0002927 | Pa×s | 508.27 | Joback Calculated Property |
| η | 0.0002297 | Pa×s | 537.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxyisobutyric acid, acetate.
Sources
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