- InChI
- InChI=1S/C10H16O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,11-12H,1-5H2
- InChI Key
- RVIZJROSQMQZCG-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- OC1C2CC3CC(C2)CC1(O)C3
- Molecular Weight1
- 168.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -422.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.918 | Crippen Calculated Property | |
| McVol | 130.920 | ml/mol | McGowan Calculated Property |
| Inp | [1592.00; 1604.00] |
|
|
| Inp | 1592.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1604.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Tfus | 522.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.00; 534.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.89580e+02 | |||
| Coefficient B | 1.70380e+00 | |||
| Coefficient C | -1.61700e-03 | |||
| Coefficient D | 6.37000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 168.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 239.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 297.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 346.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 386.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 420.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 450.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 477.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 534.22 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dihydroxyadamantane.
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
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