- 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
- ω : Acentric Factor.
- 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).
- 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 | 0.7764 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -10112.60 | kJ/mol | NIST |
| ΔfG° | 187.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) 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 | 684.83 | K | Relay (1.0) Calculated Property |
| Tc | 1052.28 | K | Relay (1.0) Calculated Property |
| Tfus | 400.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.908 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.48; 752.25] | 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 | -1.06530e+02 | |||
| Coefficient B | 1.80200e+00 | |||
| Coefficient C | -1.26870e-03 | |||
| Coefficient D | 3.25480e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 386.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 463.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 529.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 585.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 632.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 672.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 704.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 730.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 752.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-dibenzoyl-.
Sources
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