- InChI
- InChI=1S/C17H16/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-2,4-5,7,9-10,14H,3,6,8,11H2
- InChI Key
- OAAOAXXMUNESLP-UHFFFAOYSA-N
- Formula
- C17H16
- SMILES
- c1ccc2c(c1)CC1CCCc3cccc-2c31
- Molecular Weight1
- 220.31
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 162.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.330 | Crippen Calculated Property | |
| McVol | 181.150 | ml/mol | McGowan Calculated Property |
| Inp | [1808.00; 1808.00] |
|
|
| Inp | 1808.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Tfus | 333.45 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.19; 579.28] | J/mol×K | [670.74; 923.93] |
|
| Cp,gas | 489.19 | J/mol×K | 670.74 | Joback Calculated Property |
| Cp,gas | 507.11 | J/mol×K | 712.94 | Joback Calculated Property |
| Cp,gas | 523.61 | J/mol×K | 755.14 | Joback Calculated Property |
| Cp,gas | 538.88 | J/mol×K | 797.33 | Joback Calculated Property |
| Cp,gas | 553.13 | J/mol×K | 839.53 | Joback Calculated Property |
| Cp,gas | 566.53 | J/mol×K | 881.73 | Joback Calculated Property |
| Cp,gas | 579.28 | J/mol×K | 923.93 | Joback Calculated Property |
| η | [0.0010393; 0.0022175] | Pa×s | [415.39; 670.74] |
|
| η | 0.0022175 | Pa×s | 415.39 | Joback Calculated Property |
| η | 0.0018430 | Pa×s | 457.95 | Joback Calculated Property |
| η | 0.0015807 | Pa×s | 500.51 | Joback Calculated Property |
| η | 0.0013887 | Pa×s | 543.07 | Joback Calculated Property |
| η | 0.0012433 | Pa×s | 585.62 | Joback Calculated Property |
| η | 0.0011299 | Pa×s | 628.18 | Joback Calculated Property |
| η | 0.0010393 | Pa×s | 670.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenanthrene, 9,10-dihydro, 1,10-propano.
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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