- InChI
- InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
- InChI Key
- LXVSANCQXSSLPA-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CCC(O)(CC)C(=O)O
- Molecular Weight1
- 132.16
- CAS
- 3639-21-2
- Other Names
-
- Butanoic acid, 2-ethyl-2-hydroxy-
- 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).
- 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° | -400.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.76 | kJ/mol | Joback Calculated Property |
| log10WS | -0.81 | Crippen Calculated Property | |
| logPoct/wat | 0.622 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 4283.05 | kPa | Joback Calculated Property |
| Tboil | 571.68 | K | Joback Calculated Property |
| Tc | 745.53 | K | Joback Calculated Property |
| Tfus | 331.37 | K | Joback Calculated Property |
| Vc | 0.405 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.59; 314.36] | J/mol×K | [571.68; 745.53] | 
|
| Cp,gas | 271.59 | J/mol×K | 571.68 | Joback Calculated Property |
| Cp,gas | 279.74 | J/mol×K | 600.66 | Joback Calculated Property |
| Cp,gas | 287.45 | J/mol×K | 629.63 | Joback Calculated Property |
| Cp,gas | 294.75 | J/mol×K | 658.61 | Joback Calculated Property |
| Cp,gas | 301.65 | J/mol×K | 687.58 | Joback Calculated Property |
| Cp,gas | 308.18 | J/mol×K | 716.56 | Joback Calculated Property |
| Cp,gas | 314.36 | J/mol×K | 745.53 | Joback Calculated Property |
| η | [0.0000496; 0.0218901] | Pa×s | [331.37; 571.68] |
|
| η | 0.0218901 | Pa×s | 331.37 | Joback Calculated Property |
| η | 0.0045887 | Pa×s | 371.42 | Joback Calculated Property |
| η | 0.0013039 | Pa×s | 411.47 | Joback Calculated Property |
| η | 0.0004632 | Pa×s | 451.52 | Joback Calculated Property |
| η | 0.0001947 | Pa×s | 491.58 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 531.63 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 571.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-2-hydroxybutyric acid.
Sources
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