- InChI
- InChI=1S/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3
- InChI Key
- YSOKMOXAGMIZFZ-UHFFFAOYSA-N
- Formula
- C8H8N2O5
- SMILES
-
CCOc1ccc([N+](=O)[O-])cc1[N+](
=O)[O-] - Molecular Weight1
- 212.16
- CAS
- 610-54-8
- Other Names
-
- 2,4-Dinitrophenetole
- 2,4-Dinitrophenyl ethyl ether
- 1-Ethoxy-2,4-dinitrobenzene
- Phenetole, 2,4-dinitro-
- 2,4-Dinitro-1-ethoxy-benzene
- 2,4-Dinitrofenetol
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.7025 | Relay (... Calculated Property | |
| ΔcH°solid | [-4065.90; -4064.10] | kJ/mol |
|
| ΔcH°solid | -4064.10 ± 4.10 | kJ/mol | NIST |
| ΔcH°solid | -4065.90 ± 4.10 | kJ/mol | NIST |
| ΔfG° | 75.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -108.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -3.26 | Relay (... Calculated Property | |
| logPoct/wat | 1.902 | Crippen Calculated Property | |
| McVol | 140.530 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Tboil | 559.30 | K | Relay (... Calculated Property |
| Tc | 819.85 | K | Relay (... Calculated Property |
| Tfus | 350.74 | K | Relay (... Calculated Property |
| Vc | 0.494 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.15; 419.35] | J/mol×K | [745.18; 1007.50] |
|
| Cp,gas | 371.15 | J/mol×K | 745.18 | Joback Calculated Property |
| Cp,gas | 381.49 | J/mol×K | 788.90 | Joback Calculated Property |
| Cp,gas | 390.88 | J/mol×K | 832.62 | Joback Calculated Property |
| Cp,gas | 399.33 | J/mol×K | 876.34 | Joback Calculated Property |
| Cp,gas | 406.88 | J/mol×K | 920.06 | Joback Calculated Property |
| Cp,gas | 413.54 | J/mol×K | 963.78 | Joback Calculated Property |
| Cp,gas | 419.35 | J/mol×K | 1007.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethoxy-2,4-dinitro-.
Sources
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