- InChI
- InChI=1S/C12H14N2O3/c15-12(9-4-1-2-5-9)13-10-6-3-7-11(8-10)14(16)17/h3,6-9H,1-2,4-5H2,(H,13,15)
- InChI Key
- YOMYHKWKZLGNIO-UHFFFAOYSA-N
- Formula
- C12H14N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)C1
CCCC1 - Molecular Weight1
- 234.25
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6806 | Relay (... Calculated Property | |
| ΔfG° | 185.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -3.73 | Relay (... Calculated Property | |
| logPoct/wat | 2.723 | Crippen Calculated Property | |
| McVol | 174.290 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 607.84 | K | Relay (... Calculated Property |
| Tc | 926.94 | K | Relay (... Calculated Property |
| Tfus | 396.99 | K | Relay (... Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.74; 579.23] | J/mol×K | [776.78; 1035.16] |
|
| Cp,gas | 511.74 | J/mol×K | 776.78 | Joback Calculated Property |
| Cp,gas | 525.97 | J/mol×K | 819.84 | Joback Calculated Property |
| Cp,gas | 538.88 | J/mol×K | 862.91 | Joback Calculated Property |
| Cp,gas | 550.57 | J/mol×K | 905.97 | Joback Calculated Property |
| Cp,gas | 561.12 | J/mol×K | 949.03 | Joback Calculated Property |
| Cp,gas | 570.65 | J/mol×K | 992.10 | Joback Calculated Property |
| Cp,gas | 579.23 | J/mol×K | 1035.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxamide, N-(3-nitrophenyl)-.
Sources
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