- InChI
- InChI=1S/C14H12O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,13-16H
- InChI Key
- MFXNBQWUTDDOKE-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- OC1c2ccccc2-c2ccccc2C1O
- Molecular Weight1
- 212.24
- CAS
- 25061-77-2
- Other Names
-
- 9,10-Phenanthrenediol, 9,10-dihydro-
- 9,10-Dihydro-9,10-hydroxy-phenanthrene
- 9,10-Dihydroxy-9,10-dihydrophenanathrene
- cis-Phenanthrene, 9,10-dihydro-9,10-diol
- 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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -161.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.434 | Crippen Calculated Property | |
| McVol | 161.480 | ml/mol | McGowan Calculated Property |
| Inp | [1980.00; 1980.00] |
|
|
| Inp | 1980.00 | NIST | |
| Inp | 1980.00 | NIST | |
| Tfus | 475.17 | 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 | [201.78; 520.43] | 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 | -7.76500e+01 | |||
| Coefficient B | 1.25900e+00 | |||
| Coefficient C | -9.38120e-04 | |||
| Coefficient D | 2.77200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 315.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 359.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 398.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 430.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 458.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 481.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 502.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 520.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012437; 0.0000743] | Pa×s | [464.28; 685.32] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.54242e+01 | |||
| Coefficient B | 4.05528e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 464.28 | |||
| Temperature range, max. | 685.32 | |||
| η | 0.0012437 | Pa×s | 464.28 | Calculated Property |
| η | 0.0008019 | Pa×s | 488.84 | Calculated Property |
| η | 0.0005392 | Pa×s | 513.40 | Calculated Property |
| η | 0.0003760 | Pa×s | 537.96 | Calculated Property |
| η | 0.0002705 | Pa×s | 562.52 | Calculated Property |
| η | 0.0002001 | Pa×s | 587.08 | Calculated Property |
| η | 0.0001516 | Pa×s | 611.64 | Calculated Property |
| η | 0.0001174 | Pa×s | 636.20 | Calculated Property |
| η | 0.0000926 | Pa×s | 660.76 | Calculated Property |
| η | 0.0000743 | Pa×s | 685.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Dihydro-9,10-dihydroxyphenanthrene.
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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