- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.00; 601.24] | 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 | -1.38780e+02 | |||
| Coefficient B | 1.62040e+00 | |||
| Coefficient C | -1.30448e-03 | |||
| Coefficient D | 4.24100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 353.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 407.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 453.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 491.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 524.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 552.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 577.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 601.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022175; 0.0010880] | Pa×s | [415.39; 646.75] |
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 | -8.10194e+00 | |||
| Coefficient B | 8.26860e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 415.39 | |||
| Temperature range, max. | 646.75 | |||
| η | 0.0022175 | Pa×s | 415.39 | Calculated Property |
| η | 0.0019746 | Pa×s | 441.10 | Calculated Property |
| η | 0.0017809 | Pa×s | 466.80 | Calculated Property |
| η | 0.0016237 | Pa×s | 492.51 | Calculated Property |
| η | 0.0014939 | Pa×s | 518.22 | Calculated Property |
| η | 0.0013854 | Pa×s | 543.92 | Calculated Property |
| η | 0.0012935 | Pa×s | 569.63 | Calculated Property |
| η | 0.0012150 | Pa×s | 595.34 | Calculated Property |
| η | 0.0011471 | Pa×s | 621.04 | Calculated Property |
| η | 0.0010880 | Pa×s | 646.75 | 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
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