- InChI
- InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
- InChI Key
- XGWFJBFNAQHLEF-UHFFFAOYSA-N
- Formula
- C15H10O2
- SMILES
- O=C(O)c1c2ccccc2cc2ccccc12
- Molecular Weight1
- 222.24
- Other Names
-
- 9-anthroic acid
- 9-carboxyanthracene
- ANCA
- Anthracene-10-carboxylic acid
- Anthracene-9-carboxylic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7694 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.691 | Crippen Calculated Property | |
| McVol | 166.970 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Tboil | 663.00 | K | Relay (1.0) Calculated Property |
| Tc | 1006.65 | K | Relay (1.0) Calculated Property |
| Tfus | 486.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.16; 497.80] | 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 | -7.43400e+01 | |||
| Coefficient B | 1.27430e+00 | |||
| Coefficient C | -1.03536e-03 | |||
| Coefficient D | 3.33200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 311.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 352.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 387.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 417.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 441.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 462.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 480.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 497.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017037; 0.0005173] | Pa×s | [486.15; 711.87] |
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 | -1.01342e+01 | |||
| Coefficient B | 1.82756e+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. | 486.15 | |||
| Temperature range, max. | 711.87 | |||
| η | 0.0017037 | Pa×s | 486.15 | Calculated Property |
| η | 0.0014167 | Pa×s | 511.23 | Calculated Property |
| η | 0.0011986 | Pa×s | 536.31 | Calculated Property |
| η | 0.0010294 | Pa×s | 561.39 | Calculated Property |
| η | 0.0008956 | Pa×s | 586.47 | Calculated Property |
| η | 0.0007882 | Pa×s | 611.55 | Calculated Property |
| η | 0.0007006 | Pa×s | 636.63 | Calculated Property |
| η | 0.0006284 | Pa×s | 661.71 | Calculated Property |
| η | 0.0005681 | Pa×s | 686.79 | Calculated Property |
| η | 0.0005173 | Pa×s | 711.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-ANTHRACENECARBOXYLIC ACID.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic study of 9-anthracenecarboxylic acid
- Joback Method
- McGowan Method
- NIST Webbook
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