- InChI
- InChI=1S/C10H12N2O3/c1-7(2)10(13)11-8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3,(H,11,13)
- InChI Key
- YARNVNLKNTXUBT-UHFFFAOYSA-N
- Formula
- C10H12N2O3
- SMILES
-
CC(C)C(=O)Nc1cccc([N+](=O)[O-]
)c1 - Molecular Weight1
- 208.21
- 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 | 0.6616 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.189 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3206.41 | kPa | Joback Calculated Property |
| Inp | [1899.00; 1899.00] |
|
|
| Inp | 1899.00 | NIST | |
| Inp | 1899.00 | NIST | |
| Tboil | 562.18 | K | Relay (1.0) Calculated Property |
| Tc | 846.07 | K | Relay (1.0) Calculated Property |
| Tfus | 379.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.60; 479.11] | J/mol×K | [715.30; 958.30] |
|
| Cp,gas | 419.60 | J/mol×K | 715.30 | Joback Calculated Property |
| Cp,gas | 431.83 | J/mol×K | 755.80 | Joback Calculated Property |
| Cp,gas | 443.07 | J/mol×K | 796.30 | Joback Calculated Property |
| Cp,gas | 453.37 | J/mol×K | 836.80 | Joback Calculated Property |
| Cp,gas | 462.77 | J/mol×K | 877.30 | Joback Calculated Property |
| Cp,gas | 471.34 | J/mol×K | 917.80 | Joback Calculated Property |
| Cp,gas | 479.11 | J/mol×K | 958.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-nitrophenyl)-2-methyl-.
Sources
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