- InChI
- InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
- InChI Key
- DNVJGJUGFFYUPT-UHFFFAOYSA-N
- Formula
- C14H10O2
- SMILES
- O=C(O)C1c2ccccc2-c2ccccc21
- Molecular Weight1
- 210.23
- CAS
- 1989-33-9
- Other Names
-
- 9-fluorenecarboxylic acid
- Fluorene-9-carboxylic acid
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρs : Solid Density (kg/m3).
- 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 | -193.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.884 | Crippen Calculated Property | |
| McVol | 157.180 | ml/mol | McGowan Calculated Property |
| Inp | 270.30 | NIST | |
| Tfus | 484.50 | 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 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 |
|---|---|---|---|---|
| ΔsubH | 110.10 ± 4.60 | kJ/mol | 383.50 | NIST |
| ρs | 1164.00 | kg/m3 | 298.15 | A combined experimental and computational thermodynamic study of fluorene-9-methanol and fluorene-9-carboxylic acid |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.03; 485.43] | 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 | -8.44500e+01 | |||
| Coefficient B | 1.27790e+00 | |||
| Coefficient C | -1.05172e-03 | |||
| Coefficient D | 3.43700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 251.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 300.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 376.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 405.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 429.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 450.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 468.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 485.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017101; 0.0008490] | Pa×s | [511.00; 683.25] |
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 | -9.14879e+00 | |||
| Coefficient B | 1.41936e+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. | 511.00 | |||
| Temperature range, max. | 683.25 | |||
| η | 0.0017101 | Pa×s | 511.00 | Calculated Property |
| η | 0.0015470 | Pa×s | 530.14 | Calculated Property |
| η | 0.0014092 | Pa×s | 549.28 | Calculated Property |
| η | 0.0012918 | Pa×s | 568.42 | Calculated Property |
| η | 0.0011908 | Pa×s | 587.56 | Calculated Property |
| η | 0.0011035 | Pa×s | 606.70 | Calculated Property |
| η | 0.0010273 | Pa×s | 625.84 | Calculated Property |
| η | 0.0009604 | Pa×s | 644.97 | Calculated Property |
| η | 0.0009014 | Pa×s | 664.11 | Calculated Property |
| η | 0.0008490 | Pa×s | 683.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 9H-Fluorene-9-carboxylic acid.
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
- A combined experimental and computational thermodynamic study of fluorene-9-methanol and fluorene-9-carboxylic acid
- Joback Method
- McGowan Method
- NIST Webbook
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