- InChI
- InChI=1S/C21H19NO2/c23-20-18-7-3-4-8-19(18)21(24)22(20)15-9-10-17-14(12-15)11-13-5-1-2-6-16(13)17/h1-2,5-6,9-10,12,18-19H,3-4,7-8,11H2
- InChI Key
- AWJQHUSRHUQUAI-UHFFFAOYSA-N
- Formula
- C21H19NO2
- SMILES
-
O=C1C2CCCCC2C(=O)N1c1ccc2c(c1)
Cc1ccccc1-2 - Molecular Weight1
- 317.38
- CAS
- 6341-14-6
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7091 | Relay (... Calculated Property | |
| ΔfG° | 154.41 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -148.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 117.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.07 | eV | Relay (... Calculated Property |
| log10WS | -5.25 | Relay (... Calculated Property | |
| logPoct/wat | 3.937 | Crippen Calculated Property | |
| McVol | 239.770 | ml/mol | McGowan Calculated Property |
| Pc | 1604.49 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 734.75 | K | Relay (... Calculated Property |
| Tc | 1083.42 | K | Relay (... Calculated Property |
| Tfus | 509.38 | K | Relay (... Calculated Property |
| Vc | 0.897 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboximide, n-fluoren-2-yl-.
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
- McGowan Method
- NIST Webbook
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