- InChI
- InChI=1S/C20H16N2O4/c23-17-7-3-1-5-15(17)21-19(25)13-9-11-14(12-10-13)20(26)22-16-6-2-4-8-18(16)24/h1-12,23-24H,(H,21,25)(H,22,26)
- InChI Key
- DWMCVBVYKHYJET-UHFFFAOYSA-N
- Formula
- C20H16N2O4
- SMILES
-
O=C(Nc1ccccc1O)c1ccc(C(=O)Nc2c
cccc2O)cc1 - Molecular Weight1
- 348.35
- CAS
- 15457-47-3
- 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 | 1.0532 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.602 | Crippen Calculated Property | |
| McVol | 256.220 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Tboil | 693.56 | K | Relay (1.0) Calculated Property |
| Tc | 1174.59 | K | Relay (1.0) Calculated Property |
| Tfus | 532.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.890 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.34; 943.05] | J/mol×K | [1111.34; 1383.10] | 
|
| Cp,gas | 826.34 | J/mol×K | 1111.34 | Joback Calculated Property |
| Cp,gas | 842.35 | J/mol×K | 1156.63 | Joback Calculated Property |
| Cp,gas | 859.33 | J/mol×K | 1201.93 | Joback Calculated Property |
| Cp,gas | 877.58 | J/mol×K | 1247.22 | Joback Calculated Property |
| Cp,gas | 897.42 | J/mol×K | 1292.52 | Joback Calculated Property |
| Cp,gas | 919.14 | J/mol×K | 1337.81 | Joback Calculated Property |
| Cp,gas | 943.05 | J/mol×K | 1383.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarboxamide, n,n'-bis(2-hydroxyphenyl)-.
Sources
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