- InChI
- InChI=1S/C8H9N3O4/c1-2-9-7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5,9H,2H2,1H3
- InChI Key
- YYOUTZBUOQBAAE-UHFFFAOYSA-N
- Formula
- C8H9N3O4
- SMILES
-
CCNc1ccc([N+](=O)[O-])cc1[N+](
=O)[O-] - Molecular Weight1
- 211.17
- CAS
- 3846-50-2
- Other Names
-
- Benzenamine, N-ethyl-2,4-dinitro-
- N-ethyl-2,4-dinitroaniline
- 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).
- 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 | 0.7192 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.935 | Crippen Calculated Property | |
| McVol | 144.640 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 568.44 | K | Relay (1.0) Calculated Property |
| Tc | 860.55 | K | Relay (1.0) Calculated Property |
| Tfus | 384.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.67; 441.61] | J/mol×K | [772.93; 1035.37] | 
|
| Cp,gas | 393.67 | J/mol×K | 772.93 | Joback Calculated Property |
| Cp,gas | 403.82 | J/mol×K | 816.67 | Joback Calculated Property |
| Cp,gas | 413.03 | J/mol×K | 860.41 | Joback Calculated Property |
| Cp,gas | 421.36 | J/mol×K | 904.15 | Joback Calculated Property |
| Cp,gas | 428.86 | J/mol×K | 947.89 | Joback Calculated Property |
| Cp,gas | 435.60 | J/mol×K | 991.63 | Joback Calculated Property |
| Cp,gas | 441.61 | J/mol×K | 1035.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dinitro-N-ethylaniline.
Sources
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