- InChI
- InChI=1S/C15H14N2O3/c18-15(10-9-12-5-2-1-3-6-12)16-13-7-4-8-14(11-13)17(19)20/h1-8,11H,9-10H2,(H,16,18)
- InChI Key
- SRFQIDSDNDEYGS-UHFFFAOYSA-N
- Formula
- C15H14N2O3
- SMILES
-
O=C(CCc1ccccc1)Nc1cccc([N+](=O
)[O-])c1 - Molecular Weight1
- 270.28
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 286.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 38.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 3.166 | Crippen Calculated Property | |
| McVol | 203.660 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| Inp | 2560.00 | NIST | |
| Tboil | 856.82 | K | Joback Calculated Property |
| Tc | 1113.04 | K | Joback Calculated Property |
| Tfus | 570.37 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.19; 646.22] | J/mol×K | [856.82; 1113.04] | 
|
| Cp,gas | 589.19 | J/mol×K | 856.82 | Joback Calculated Property |
| Cp,gas | 601.25 | J/mol×K | 899.52 | Joback Calculated Property |
| Cp,gas | 612.15 | J/mol×K | 942.23 | Joback Calculated Property |
| Cp,gas | 622.00 | J/mol×K | 984.93 | Joback Calculated Property |
| Cp,gas | 630.89 | J/mol×K | 1027.63 | Joback Calculated Property |
| Cp,gas | 638.93 | J/mol×K | 1070.33 | Joback Calculated Property |
| Cp,gas | 646.22 | J/mol×K | 1113.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-nitrophenyl)-3-phenyl-.
Sources
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