- InChI
- InChI=1S/C8H16O3/c1-4-5-6-11-7(9)8(2,3)10/h10H,4-6H2,1-3H3
- InChI Key
- KDOLGPLJUMQYBO-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCCCOC(=O)C(C)(C)O
- Molecular Weight1
- 160.21
- CAS
- 816-50-2
- Other Names
-
- 2-Hydroxyisobutyric acid, butylester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -351.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.94 | kJ/mol | Joback Calculated Property |
| log10WS | -1.41 | Crippen Calculated Property | |
| logPoct/wat | 1.101 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Tboil | 547.68 | K | Joback Calculated Property |
| Tc | 725.07 | K | Joback Calculated Property |
| Tfus | 315.32 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.80; 397.31] | J/mol×K | [547.68; 725.07] | 
|
| Cp,gas | 336.80 | J/mol×K | 547.68 | Joback Calculated Property |
| Cp,gas | 348.18 | J/mol×K | 577.24 | Joback Calculated Property |
| Cp,gas | 359.02 | J/mol×K | 606.81 | Joback Calculated Property |
| Cp,gas | 369.33 | J/mol×K | 636.37 | Joback Calculated Property |
| Cp,gas | 379.14 | J/mol×K | 665.94 | Joback Calculated Property |
| Cp,gas | 388.47 | J/mol×K | 695.50 | Joback Calculated Property |
| Cp,gas | 397.31 | J/mol×K | 725.07 | Joback Calculated Property |
| η | [0.0001039; 0.0099742] | Pa×s | [315.32; 547.68] |
|
| η | 0.0099742 | Pa×s | 315.32 | Joback Calculated Property |
| η | 0.0030749 | Pa×s | 354.05 | Joback Calculated Property |
| η | 0.0011956 | Pa×s | 392.77 | Joback Calculated Property |
| η | 0.0005507 | Pa×s | 431.50 | Joback Calculated Property |
| η | 0.0002883 | Pa×s | 470.23 | Joback Calculated Property |
| η | 0.0001665 | Pa×s | 508.95 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 547.68 | Joback Calculated Property |
| ΔvapH | 47.70 | kJ/mol | 421.00 | NIST |
Similar Compounds
Find more compounds similar to Alpha-hydroxy-isobutyric acid, n-butyl ester.
Sources
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