- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4761 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -632.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.220 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | 1011.10 | NIST | |
| Tboil | 431.08 | K | Relay (1.0) Calculated Property |
| Tc | 616.47 | K | Relay (1.0) Calculated Property |
| Tfus | 222.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.495 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.04; 370.04] | J/mol×K | [462.40; 641.32] | 
|
| Cp,gas | 299.04 | J/mol×K | 462.40 | Joback Calculated Property |
| Cp,gas | 312.03 | J/mol×K | 492.22 | Joback Calculated Property |
| Cp,gas | 324.55 | J/mol×K | 522.04 | Joback Calculated Property |
| Cp,gas | 336.63 | J/mol×K | 551.86 | Joback Calculated Property |
| Cp,gas | 348.23 | J/mol×K | 581.68 | Joback Calculated Property |
| Cp,gas | 359.37 | J/mol×K | 611.50 | Joback Calculated Property |
| Cp,gas | 370.04 | J/mol×K | 641.32 | Joback Calculated Property |
| η | [0.0001827; 0.0113332] | Pa×s | [214.48; 462.40] |
|
| η | 0.0113332 | Pa×s | 214.48 | Joback Calculated Property |
| η | 0.0032680 | Pa×s | 255.80 | Joback Calculated Property |
| η | 0.0013318 | Pa×s | 297.12 | Joback Calculated Property |
| η | 0.0006757 | Pa×s | 338.44 | Joback Calculated Property |
| η | 0.0003974 | Pa×s | 379.76 | Joback Calculated Property |
| η | 0.0002594 | Pa×s | 421.08 | Joback Calculated Property |
| η | 0.0001827 | Pa×s | 462.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyisocaproic acid, methyl ether, methyl ester.
Sources
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