- InChI
- InChI=1S/C21H15NO3/c23-19(16-10-4-1-5-11-16)22(20(24)17-12-6-2-7-13-17)21(25)18-14-8-3-9-15-18/h1-15H
- InChI Key
- UVUKMPQRNIREDM-UHFFFAOYSA-N
- Formula
- C21H15NO3
- SMILES
-
O=C(c1ccccc1)N(C(=O)c1ccccc1)C
(=O)c1ccccc1 - Molecular Weight1
- 329.35
- CAS
- 602-88-0
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -10112.60 | kJ/mol | NIST |
| ΔfG° | 187.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.45 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 3.810 | Crippen Calculated Property | |
| McVol | 250.160 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Tboil | 933.97 | K | Joback Calculated Property |
| Tc | 1193.84 | K | Joback Calculated Property |
| Tfus | 587.95 | K | Joback Calculated Property |
| Vc | 0.923 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.97; 790.36] | J/mol×K | [933.97; 1193.84] | 
|
| Cp,gas | 734.97 | J/mol×K | 933.97 | Joback Calculated Property |
| Cp,gas | 746.62 | J/mol×K | 977.28 | Joback Calculated Property |
| Cp,gas | 757.09 | J/mol×K | 1020.59 | Joback Calculated Property |
| Cp,gas | 766.55 | J/mol×K | 1063.91 | Joback Calculated Property |
| Cp,gas | 775.14 | J/mol×K | 1107.22 | Joback Calculated Property |
| Cp,gas | 783.02 | J/mol×K | 1150.53 | Joback Calculated Property |
| Cp,gas | 790.36 | J/mol×K | 1193.84 | Joback Calculated Property |
Similar Compounds
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Sources
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