- InChI
- InChI=1S/C8H16O3/c1-6(2)5-7(10-3)8(9)11-4/h6-7H,5H2,1-4H3
- InChI Key
- MRITUNXBFHKLSY-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- COC(=O)C(CC(C)C)OC
- Molecular Weight1
- 160.21
- 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° | -327.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.19 | kJ/mol | Joback Calculated Property |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 1.220 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | 1011.10 | NIST | |
| Tboil | 480.27 | K | Joback Calculated Property |
| Tc | 662.33 | K | Joback Calculated Property |
| Tfus | 244.31 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.20; 374.06] | J/mol×K | [480.27; 662.33] | 
|
| Cp,gas | 304.20 | J/mol×K | 480.27 | Joback Calculated Property |
| Cp,gas | 316.93 | J/mol×K | 510.61 | Joback Calculated Property |
| Cp,gas | 329.23 | J/mol×K | 540.96 | Joback Calculated Property |
| Cp,gas | 341.10 | J/mol×K | 571.30 | Joback Calculated Property |
| Cp,gas | 352.53 | J/mol×K | 601.65 | Joback Calculated Property |
| Cp,gas | 363.52 | J/mol×K | 631.99 | Joback Calculated Property |
| Cp,gas | 374.06 | J/mol×K | 662.33 | Joback Calculated Property |
| η | [0.0001926; 0.0051039] | Pa×s | [244.31; 480.27] |
|
| η | 0.0051039 | Pa×s | 244.31 | Joback Calculated Property |
| η | 0.0020240 | Pa×s | 283.64 | Joback Calculated Property |
| η | 0.0010055 | Pa×s | 322.96 | Joback Calculated Property |
| η | 0.0005814 | Pa×s | 362.29 | Joback Calculated Property |
| η | 0.0003743 | Pa×s | 401.62 | Joback Calculated Property |
| η | 0.0002606 | Pa×s | 440.94 | Joback Calculated Property |
| η | 0.0001926 | Pa×s | 480.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyisocaproic acid, methyl ether, methyl ester.
Sources
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