- InChI
- InChI=1S/C17H26N2O3/c1-3-5-6-7-8-9-14-18(4-2)17(20)15-10-12-16(13-11-15)19(21)22/h10-13H,3-9,14H2,1-2H3
- InChI Key
- DYDAEUOSVRENRR-UHFFFAOYSA-N
- Formula
- C17H26N2O3
- SMILES
-
CCCCCCCCN(CC)C(=O)c1ccc([N+](=
O)[O-])cc1 - Molecular Weight1
- 306.40
- 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 | 0.9286 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.417 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1651.11 | kPa | Joback Calculated Property |
| Inp | [2696.00; 2696.00] |
|
|
| Inp | 2696.00 | NIST | |
| Inp | 2696.00 | NIST | |
| Tboil | 625.85 | K | Relay (1.0) Calculated Property |
| Tc | 878.79 | K | Relay (1.0) Calculated Property |
| Tfus | 317.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.90; 864.08] | J/mol×K | [838.17; 1052.54] |
|
| Cp,gas | 786.90 | J/mol×K | 838.17 | Joback Calculated Property |
| Cp,gas | 802.15 | J/mol×K | 873.90 | Joback Calculated Property |
| Cp,gas | 816.36 | J/mol×K | 909.63 | Joback Calculated Property |
| Cp,gas | 829.59 | J/mol×K | 945.36 | Joback Calculated Property |
| Cp,gas | 841.91 | J/mol×K | 981.09 | Joback Calculated Property |
| Cp,gas | 853.39 | J/mol×K | 1016.81 | Joback Calculated Property |
| Cp,gas | 864.08 | J/mol×K | 1052.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-octyl-.
Sources
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