- InChI
- InChI=1S/C11H12N2O3/c14-11(8-3-1-4-8)12-9-5-2-6-10(7-9)13(15)16/h2,5-8H,1,3-4H2,(H,12,14)
- InChI Key
- YGYICSAGQSYTID-UHFFFAOYSA-N
- Formula
- C11H12N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)C1
CCC1 - Molecular Weight1
- 220.22
- 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° | 189.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -48.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.333 | Crippen Calculated Property | |
| McVol | 160.200 | ml/mol | McGowan Calculated Property |
| Pc | 3399.94 | kPa | Joback Calculated Property |
| Inp | 2139.00 | NIST | |
| Tboil | 749.63 | K | Joback Calculated Property |
| Tc | 1006.02 | K | Joback Calculated Property |
| Tfus | 513.29 | K | Joback Calculated Property |
| Vc | 0.616 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.15; 520.06] | J/mol×K | [749.63; 1006.02] | 
|
| Cp,gas | 456.15 | J/mol×K | 749.63 | Joback Calculated Property |
| Cp,gas | 469.39 | J/mol×K | 792.36 | Joback Calculated Property |
| Cp,gas | 481.46 | J/mol×K | 835.09 | Joback Calculated Property |
| Cp,gas | 492.46 | J/mol×K | 877.83 | Joback Calculated Property |
| Cp,gas | 502.50 | J/mol×K | 920.56 | Joback Calculated Property |
| Cp,gas | 511.67 | J/mol×K | 963.29 | Joback Calculated Property |
| Cp,gas | 520.06 | J/mol×K | 1006.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxamide, N-(3-nitrophenyl)-.
Sources
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