- InChI
- InChI=1S/C8H14O4/c1-5(2)4-7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11)
- InChI Key
- IQAAMERVQHMVBU-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CC(=O)OC(CC(C)C)C(=O)O
- Molecular Weight1
- 174.19
- 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° | -488.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.21 | kJ/mol | Joback Calculated Property |
| log10WS | -1.00 | Crippen Calculated Property | |
| logPoct/wat | 1.049 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Inp | 1286.00 | NIST | |
| Tboil | 603.90 | K | Joback Calculated Property |
| Tc | 786.64 | K | Joback Calculated Property |
| Tfus | 332.83 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.78; 405.08] | J/mol×K | [603.90; 786.64] | 
|
| Cp,gas | 349.78 | J/mol×K | 603.90 | Joback Calculated Property |
| Cp,gas | 360.20 | J/mol×K | 634.36 | Joback Calculated Property |
| Cp,gas | 370.14 | J/mol×K | 664.81 | Joback Calculated Property |
| Cp,gas | 379.59 | J/mol×K | 695.27 | Joback Calculated Property |
| Cp,gas | 388.56 | J/mol×K | 725.72 | Joback Calculated Property |
| Cp,gas | 397.06 | J/mol×K | 756.18 | Joback Calculated Property |
| Cp,gas | 405.08 | J/mol×K | 786.64 | Joback Calculated Property |
| η | [0.0000815; 0.0088194] | Pa×s | [332.83; 603.90] |
|
| η | 0.0088194 | Pa×s | 332.83 | Joback Calculated Property |
| η | 0.0025337 | Pa×s | 378.01 | Joback Calculated Property |
| η | 0.0009500 | Pa×s | 423.19 | Joback Calculated Property |
| η | 0.0004304 | Pa×s | 468.37 | Joback Calculated Property |
| η | 0.0002242 | Pa×s | 513.54 | Joback Calculated Property |
| η | 0.0001297 | Pa×s | 558.72 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 603.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyisocaproic acid, acetate.
Sources
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