- InChI
- InChI=1S/C22H26/c1-21(2,3)16-12-11-15-13-20(22(4,5)6)18-10-8-7-9-17(18)19(15)14-16/h7-14H,1-6H3
- InChI Key
- UENRPNPQJZVMPN-UHFFFAOYSA-N
- Formula
- C22H26
- SMILES
-
CC(C)(C)c1ccc2cc(C(C)(C)C)c3cc
ccc3c2c1 - Molecular Weight1
- 290.45
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 11.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.588 | Crippen Calculated Property | |
| McVol | 258.160 | ml/mol | McGowan Calculated Property |
| Tboil | 674.03 | K | Relay (1.0) Calculated Property |
| Tfus | 395.32 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.14; 854.40] | J/mol×K | [775.88; 1017.59] | 
|
| Cp,gas | 756.14 | J/mol×K | 775.88 | Joback Calculated Property |
| Cp,gas | 774.91 | J/mol×K | 816.16 | Joback Calculated Property |
| Cp,gas | 792.47 | J/mol×K | 856.45 | Joback Calculated Property |
| Cp,gas | 808.99 | J/mol×K | 896.73 | Joback Calculated Property |
| Cp,gas | 824.69 | J/mol×K | 937.02 | Joback Calculated Property |
| Cp,gas | 839.76 | J/mol×K | 977.30 | Joback Calculated Property |
| Cp,gas | 854.40 | J/mol×K | 1017.59 | Joback Calculated Property |
| η | [0.0001829; 0.0010875] | Pa×s | [471.92; 775.88] |
|
| η | 0.0010875 | Pa×s | 471.92 | Joback Calculated Property |
| η | 0.0006996 | Pa×s | 522.58 | Joback Calculated Property |
| η | 0.0004865 | Pa×s | 573.24 | Joback Calculated Property |
| η | 0.0003589 | Pa×s | 623.90 | Joback Calculated Property |
| η | 0.0002772 | Pa×s | 674.56 | Joback Calculated Property |
| η | 0.0002219 | Pa×s | 725.22 | Joback Calculated Property |
| η | 0.0001829 | Pa×s | 775.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenanthrene, 3,9-bis(1,1-dimethylethyl)-.
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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