- InChI
- InChI=1S/C8H14O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7,9-10H,2-4H2,1H3
- InChI Key
- SHNNPNZMDZPVLC-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- COC(=O)C1CCC(O)C(O)C1
- Molecular Weight1
- 174.20
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -739.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | -0.319 | Crippen Calculated Property | |
| McVol | 131.900 | ml/mol | McGowan Calculated Property |
| Tboil | 555.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [375.02; 437.77] | J/mol×K | [635.43; 820.36] | 
|
| Cp,gas | 375.02 | J/mol×K | 635.43 | Joback Calculated Property |
| Cp,gas | 387.13 | J/mol×K | 666.25 | Joback Calculated Property |
| Cp,gas | 398.59 | J/mol×K | 697.07 | Joback Calculated Property |
| Cp,gas | 409.38 | J/mol×K | 727.89 | Joback Calculated Property |
| Cp,gas | 419.50 | J/mol×K | 758.72 | Joback Calculated Property |
| Cp,gas | 428.97 | J/mol×K | 789.54 | Joback Calculated Property |
| Cp,gas | 437.77 | J/mol×K | 820.36 | Joback Calculated Property |
| η | [0.0000315; 0.0136844] | Pa×s | [342.79; 635.43] |
|
| η | 0.0136844 | Pa×s | 342.79 | Joback Calculated Property |
| η | 0.0026466 | Pa×s | 391.56 | Joback Calculated Property |
| η | 0.0007366 | Pa×s | 440.34 | Joback Calculated Property |
| η | 0.0002646 | Pa×s | 489.11 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 537.88 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 586.66 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 635.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 3,4-dihydroxy-cis-3, cis-4, methyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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