- InChI
- InChI=1S/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
- InChI Key
- XFOASZQZPWEJAA-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CC(C)C(C)C(=O)O
- Molecular Weight1
- 116.16
- CAS
- 14287-61-7
- Other Names
-
- 2,3-dimethylbutyric acid
- 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).
- Inp : Non-polar retention indices.
- 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° | -270.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.60 | kJ/mol | Joback Calculated Property |
| log10WS | -0.95 | Crippen Calculated Property | |
| logPoct/wat | 1.363 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3796.32 | kPa | Joback Calculated Property |
| Inp | 874.00 | NIST | |
| Tboil | 481.85 | K | Joback Calculated Property |
| Tc | 660.43 | K | Joback Calculated Property |
| Tfus | 271.60 ± 0.80 | K | NIST |
| Vc | 0.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.06; 274.86] | J/mol×K | [481.85; 660.43] | 
|
| Cp,gas | 224.06 | J/mol×K | 481.85 | Joback Calculated Property |
| Cp,gas | 233.51 | J/mol×K | 511.61 | Joback Calculated Property |
| Cp,gas | 242.55 | J/mol×K | 541.38 | Joback Calculated Property |
| Cp,gas | 251.20 | J/mol×K | 571.14 | Joback Calculated Property |
| Cp,gas | 259.46 | J/mol×K | 600.90 | Joback Calculated Property |
| Cp,gas | 267.34 | J/mol×K | 630.66 | Joback Calculated Property |
| Cp,gas | 274.86 | J/mol×K | 660.43 | Joback Calculated Property |
| η | [0.0001871; 0.0917970] | Pa×s | [238.13; 481.85] |
|
| η | 0.0917970 | Pa×s | 238.13 | Joback Calculated Property |
| η | 0.0154044 | Pa×s | 278.75 | Joback Calculated Property |
| η | 0.0040705 | Pa×s | 319.37 | Joback Calculated Property |
| η | 0.0014524 | Pa×s | 359.99 | Joback Calculated Property |
| η | 0.0006387 | Pa×s | 400.61 | Joback Calculated Property |
| η | 0.0003267 | Pa×s | 441.23 | Joback Calculated Property |
| η | 0.0001871 | Pa×s | 481.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-methylbutanoic acid.
Sources
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