- InChI
- InChI=1S/C20H16N2O2/c23-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)22-20(24)16-9-5-2-6-10-16/h1-14H,(H,21,23)(H,22,24)
- InChI Key
- ABRHLWPJYNIPHN-UHFFFAOYSA-N
- Formula
- C20H16N2O2
- SMILES
-
O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)
c1ccccc1 - Molecular Weight1
- 316.35
- CAS
- 5467-04-9
- Other Names
-
- N,N'-Dibenzoyl-p-phenylenediamine
- 1,2-Dibenzamido benzene
- 1,4-Dibenzamido benzene
- 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 | 0.8189 | Relay (1.0) Calculated Property | |
| ΔfG° | 366.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.191 | Crippen Calculated Property | |
| McVol | 244.480 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Tboil | 699.76 | K | Relay (1.0) Calculated Property |
| Tc | 1106.04 | K | Relay (1.0) Calculated Property |
| Tfus | 510.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.76; 744.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.04100e+01 | |||
| Coefficient B | 1.70400e+00 | |||
| Coefficient C | -1.15056e-03 | |||
| Coefficient D | 2.81320e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 294.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 455.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 520.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 576.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 623.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 662.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 695.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 722.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 744.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N'-1,4-phenylenebis-.
Sources
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