- InChI
- InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)
- InChI Key
- RZRJYURCNBXIST-UHFFFAOYSA-N
- Formula
- C15H10O2
- SMILES
- O=C(O)c1ccc2cc3ccccc3cc2c1
- Molecular Weight1
- 222.24
- CAS
- 613-08-1
- Other Names
-
- 2-Anthroic acid
- Anthracene-2-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).
- 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 | 0.7847 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | 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 | 687.84 | K | Relay (1.0) Calculated Property |
| Tc | 1013.85 | K | Relay (1.0) Calculated Property |
| Tfus | 561.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.18; 501.24] | J/mol×K | [762.91; 1016.95] | 
|
| Cp,gas | 443.18 | J/mol×K | 762.91 | Joback Calculated Property |
| Cp,gas | 454.41 | J/mol×K | 805.25 | Joback Calculated Property |
| Cp,gas | 464.82 | J/mol×K | 847.59 | Joback Calculated Property |
| Cp,gas | 474.56 | J/mol×K | 889.93 | Joback Calculated Property |
| Cp,gas | 483.77 | J/mol×K | 932.27 | Joback Calculated Property |
| Cp,gas | 492.61 | J/mol×K | 974.61 | Joback Calculated Property |
| Cp,gas | 501.24 | J/mol×K | 1016.95 | Joback Calculated Property |
| η | [0.0004356; 0.0011989] | Pa×s | [536.27; 762.91] |
|
| η | 0.0011989 | Pa×s | 536.27 | Joback Calculated Property |
| η | 0.0009581 | Pa×s | 574.04 | Joback Calculated Property |
| η | 0.0007871 | Pa×s | 611.82 | Joback Calculated Property |
| η | 0.0006616 | Pa×s | 649.59 | Joback Calculated Property |
| η | 0.0005668 | Pa×s | 687.36 | Joback Calculated Property |
| η | 0.0004935 | Pa×s | 725.14 | Joback Calculated Property |
| η | 0.0004356 | Pa×s | 762.91 | Joback Calculated Property |
| ΔsubH | 134.80 ± 3.40 | kJ/mol | 411.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Anthracenecarboxylic acid.
Sources
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