- InChI
- InChI=1S/C14H20N2O3/c1-3-5-6-11-15(4-2)14(17)12-7-9-13(10-8-12)16(18)19/h7-10H,3-6,11H2,1-2H3
- InChI Key
- KRAJOTDZIBMEKU-UHFFFAOYSA-N
- Formula
- C14H20N2O3
- SMILES
-
CCCCCN(CC)C(=O)c1ccc([N+](=O)[
O-])cc1 - Molecular Weight1
- 264.32
- 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 | 0.8072 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.247 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | [2387.00; 2387.00] |
|
|
| Inp | 2387.00 | NIST | |
| Inp | 2387.00 | NIST | |
| Tboil | 603.41 | K | Relay (1.0) Calculated Property |
| Tc | 851.76 | K | Relay (1.0) Calculated Property |
| Tfus | 319.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.764 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.22; 690.88] | J/mol×K | [769.53; 990.53] |
|
| Cp,gas | 618.22 | J/mol×K | 769.53 | Joback Calculated Property |
| Cp,gas | 632.71 | J/mol×K | 806.36 | Joback Calculated Property |
| Cp,gas | 646.16 | J/mol×K | 843.20 | Joback Calculated Property |
| Cp,gas | 658.64 | J/mol×K | 880.03 | Joback Calculated Property |
| Cp,gas | 670.22 | J/mol×K | 916.86 | Joback Calculated Property |
| Cp,gas | 680.94 | J/mol×K | 953.70 | Joback Calculated Property |
| Cp,gas | 690.88 | J/mol×K | 990.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-pentyl-.
Sources
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