- InChI
- InChI=1S/C16H16/c1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16/h3-6,8-12H,2,7H2,1H3
- InChI Key
- ZTBWLZNGULENBG-UHFFFAOYSA-N
- Formula
- C16H16
- SMILES
- CCCC1c2ccccc2-c2ccccc21
- Molecular Weight1
- 208.30
- CAS
- 4037-45-0
- Other Names
-
- 9-n-Propylfluorene
- 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 | 135.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.599 | Crippen Calculated Property | |
| McVol | 177.920 | ml/mol | McGowan Calculated Property |
| Inp | [318.01; 318.01] |
|
|
| Inp | 318.01 | NIST | |
| Inp | 318.01 | NIST | |
| Inp | 318.01 | NIST | |
| Tfus | 319.80 | 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 | [221.83; 577.83] | 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 | -9.08680e+01 | |||
| Coefficient B | 1.41712e+00 | |||
| Coefficient C | -1.08792e-03 | |||
| Coefficient D | 3.39500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 221.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 396.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 439.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 475.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 505.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 532.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 556.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 577.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015837; 0.0006732] | Pa×s | [372.94; 601.90] |
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 | -8.69700e+00 | |||
| Coefficient B | 8.38740e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 372.94 | |||
| Temperature range, max. | 601.90 | |||
| η | 0.0015837 | Pa×s | 372.94 | Calculated Property |
| η | 0.0013718 | Pa×s | 398.38 | Calculated Property |
| η | 0.0012090 | Pa×s | 423.82 | Calculated Property |
| η | 0.0010808 | Pa×s | 449.26 | Calculated Property |
| η | 0.0009779 | Pa×s | 474.70 | Calculated Property |
| η | 0.0008938 | Pa×s | 500.14 | Calculated Property |
| η | 0.0008241 | Pa×s | 525.58 | Calculated Property |
| η | 0.0007656 | Pa×s | 551.02 | Calculated Property |
| η | 0.0007159 | Pa×s | 576.46 | Calculated Property |
| η | 0.0006732 | Pa×s | 601.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 9H-Fluorene, 9-propyl-.
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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