- InChI
- InChI=1S/C14H20N2O3/c1-4-15(10-9-11(2)3)14(17)12-5-7-13(8-6-12)16(18)19/h5-8,11H,4,9-10H2,1-3H3
- InChI Key
- YCZHIXQBXJZEKK-UHFFFAOYSA-N
- Formula
- C14H20N2O3
- SMILES
-
CCN(CCC(C)C)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 | 0.7595 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.103 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 2133.46 | kPa | Joback Calculated Property |
| Inp | [2285.00; 2285.00] |
|
|
| Inp | 2285.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Tboil | 604.07 | K | Relay (1.0) Calculated Property |
| Tc | 844.25 | K | Relay (1.0) Calculated Property |
| Tfus | 327.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.754 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.79; 692.27] | J/mol×K | [769.09; 993.76] |
|
| Cp,gas | 618.79 | J/mol×K | 769.09 | Joback Calculated Property |
| Cp,gas | 633.52 | J/mol×K | 806.54 | Joback Calculated Property |
| Cp,gas | 647.17 | J/mol×K | 843.98 | Joback Calculated Property |
| Cp,gas | 659.81 | J/mol×K | 881.43 | Joback Calculated Property |
| Cp,gas | 671.49 | J/mol×K | 918.87 | Joback Calculated Property |
| Cp,gas | 682.29 | J/mol×K | 956.32 | Joback Calculated Property |
| Cp,gas | 692.27 | J/mol×K | 993.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-3-methylbutyl-.
Sources
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