- InChI
- InChI=1S/C17H11NO2/c1-11(19)20-17-14-8-4-2-6-12(14)16(10-18)13-7-3-5-9-15(13)17/h2-9H,1H3
- InChI Key
- BQOUZQNDJTXXIN-UHFFFAOYSA-N
- Formula
- C17H11NO2
- SMILES
-
CC(=O)Oc1c2ccccc2c(C#N)c2ccccc
12 - Molecular Weight1
- 261.27
- CAS
- 47051-16-1
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.6866 | Relay (... Calculated Property | |
| ΔfG° | 288.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.36 | kJ/mol | Relay (... Calculated Property |
| IE | 7.91 | eV | Relay (... Calculated Property |
| log10WS | -4.77 | Relay (... Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 196.530 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Tboil | 696.12 | K | Relay (... Calculated Property |
| Tc | 1003.36 | K | Relay (... Calculated Property |
| Tfus | 438.97 | K | Relay (... Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.40; 590.55] | J/mol×K | [846.31; 1096.81] | 
|
| Cp,gas | 534.40 | J/mol×K | 846.31 | Joback Calculated Property |
| Cp,gas | 545.34 | J/mol×K | 888.06 | Joback Calculated Property |
| Cp,gas | 555.51 | J/mol×K | 929.81 | Joback Calculated Property |
| Cp,gas | 565.01 | J/mol×K | 971.56 | Joback Calculated Property |
| Cp,gas | 573.96 | J/mol×K | 1013.31 | Joback Calculated Property |
| Cp,gas | 582.43 | J/mol×K | 1055.06 | Joback Calculated Property |
| Cp,gas | 590.55 | J/mol×K | 1096.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Anthracenecarbonitrile, 10-(acetyloxy)-.
Sources
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