- InChI
- InChI=1S/C15H11NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-11H/b10-9+
- InChI Key
- SMFBODMWKWBFOK-MDZDMXLPSA-N
- Formula
- C15H11NO3
- SMILES
-
O=C(C=Cc1cccc([N+](=O)[O-])c1)
c1ccccc1 - Molecular Weight1
- 253.25
- CAS
- 614-48-2
- Other Names
-
- 2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-
- M-nitrobenzylidene acetophenone
- 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 |
|---|---|---|---|
| ΔfG° | 277.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 102.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 3.491 | Crippen Calculated Property | |
| McVol | 189.380 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Tboil | 810.81 | K | Joback Calculated Property |
| Tc | 1080.95 | K | Joback Calculated Property |
| Tfus | 512.63 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.78; 572.57] | J/mol×K | [810.81; 1080.95] | 
|
| Cp,gas | 512.78 | J/mol×K | 810.81 | Joback Calculated Property |
| Cp,gas | 525.18 | J/mol×K | 855.83 | Joback Calculated Property |
| Cp,gas | 536.42 | J/mol×K | 900.86 | Joback Calculated Property |
| Cp,gas | 546.64 | J/mol×K | 945.88 | Joback Calculated Property |
| Cp,gas | 555.98 | J/mol×K | 990.91 | Joback Calculated Property |
| Cp,gas | 564.58 | J/mol×K | 1035.93 | Joback Calculated Property |
| Cp,gas | 572.57 | J/mol×K | 1080.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitrochalcone.
Sources
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