- InChI
- InChI=1S/C10H16O3/c1-6-3-4-8(9(11)5-6)7(2)10(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)
- InChI Key
- NLVKRMKUKIWVJS-UHFFFAOYSA-N
- Formula
- C10H16O3
- SMILES
- CC1CCC(C(C)C(=O)O)C(=O)C1
- Molecular Weight1
- 184.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- I : 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° | -340.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.26 | kJ/mol | Joback Calculated Property |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.712 | Crippen Calculated Property | |
| McVol | 149.910 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| I | [2820.00; 2820.00] |
|
|
| I | 2820.00 | NIST | |
| I | 2820.00 | NIST | |
| Tboil | 656.51 | K | Joback Calculated Property |
| Tc | 866.39 | K | Joback Calculated Property |
| Tfus | 369.57 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.66; 502.22] | J/mol×K | [656.51; 866.39] |
|
| Cp,gas | 424.66 | J/mol×K | 656.51 | Joback Calculated Property |
| Cp,gas | 439.84 | J/mol×K | 691.49 | Joback Calculated Property |
| Cp,gas | 454.13 | J/mol×K | 726.47 | Joback Calculated Property |
| Cp,gas | 467.52 | J/mol×K | 761.45 | Joback Calculated Property |
| Cp,gas | 480.00 | J/mol×K | 796.43 | Joback Calculated Property |
| Cp,gas | 491.57 | J/mol×K | 831.41 | Joback Calculated Property |
| Cp,gas | 502.22 | J/mol×K | 866.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Methyl-2-oxo-cyclohexyl)-propanoic acid.
Sources
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