- InChI
- InChI=1S/C8H8N2O5/c1-2-5-3-6(9(12)13)4-7(8(5)11)10(14)15/h3-4,11H,2H2,1H3
- InChI Key
- SYWMIOFIFBKHTK-UHFFFAOYSA-N
- Formula
- C8H8N2O5
- SMILES
-
CCc1cc([N+](=O)[O-])cc([N+](=O
)[O-])c1O - Molecular Weight1
- 212.16
- CAS
- 4099-71-2
- 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 |
|---|---|---|---|
| ΔfG° | 26.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.20 | kJ/mol | Joback Calculated Property |
| IE | 9.98 ± 0.08 | eV | NIST |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 1.771 | Crippen Calculated Property | |
| McVol | 140.530 | ml/mol | McGowan Calculated Property |
| Pc | 4374.18 | kPa | Joback Calculated Property |
| Tboil | 803.38 | K | Joback Calculated Property |
| Tc | 1075.70 | K | Joback Calculated Property |
| Tfus | 630.32 | K | Joback Calculated Property |
| Vc | 0.505 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.59; 435.39] | J/mol×K | [803.38; 1075.70] | 
|
| Cp,gas | 385.59 | J/mol×K | 803.38 | Joback Calculated Property |
| Cp,gas | 394.79 | J/mol×K | 848.77 | Joback Calculated Property |
| Cp,gas | 403.46 | J/mol×K | 894.15 | Joback Calculated Property |
| Cp,gas | 411.73 | J/mol×K | 939.54 | Joback Calculated Property |
| Cp,gas | 419.72 | J/mol×K | 984.92 | Joback Calculated Property |
| Cp,gas | 427.56 | J/mol×K | 1030.31 | Joback Calculated Property |
| Cp,gas | 435.39 | J/mol×K | 1075.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4-dinitro-6-ethyl-.
Sources
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