- InChI
- InChI=1S/C12H16N2O3/c1-2-3-4-8-12(15)13-10-6-5-7-11(9-10)14(16)17/h5-7,9H,2-4,8H2,1H3,(H,13,15)
- InChI Key
- MPVGXCSUZCMVCI-UHFFFAOYSA-N
- Formula
- C12H16N2O3
- SMILES
-
CCCCCC(=O)Nc1cccc([N+](=O)[O-]
)c1 - Molecular Weight1
- 236.27
- 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 | 0.7882 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.114 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Inp | [2179.00; 2179.00] |
|
|
| Inp | 2179.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Tboil | 595.77 | K | Relay (1.0) Calculated Property |
| Tc | 875.74 | K | Relay (1.0) Calculated Property |
| Tfus | 358.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.01; 587.11] | J/mol×K | [761.50; 991.13] |
|
| Cp,gas | 523.01 | J/mol×K | 761.50 | Joback Calculated Property |
| Cp,gas | 535.96 | J/mol×K | 799.77 | Joback Calculated Property |
| Cp,gas | 547.94 | J/mol×K | 838.04 | Joback Calculated Property |
| Cp,gas | 558.99 | J/mol×K | 876.31 | Joback Calculated Property |
| Cp,gas | 569.16 | J/mol×K | 914.58 | Joback Calculated Property |
| Cp,gas | 578.52 | J/mol×K | 952.85 | Joback Calculated Property |
| Cp,gas | 587.11 | J/mol×K | 991.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanamide, N-(3-nitrophenyl)-.
Sources
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