- InChI
- InChI=1S/C12H7N3O7/c16-13(17)8-6-10(14(18)19)12(11(7-8)15(20)21)22-9-4-2-1-3-5-9/h1-7H
- InChI Key
- KDVCTAHYZJQAOH-UHFFFAOYSA-N
- Formula
- C12H7N3O7
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(Oc2ccccc2)c([N+](=O)[O-])c1 - Molecular Weight1
- 305.20
- CAS
- 6973-40-6
- Other Names
-
- 1,3,5-trinitro-2-phenoxy-benzene
- 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 | 0.8680 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 76.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.203 | Crippen Calculated Property | |
| McVol | 190.550 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Tboil | 605.02 | K | Relay (1.0) Calculated Property |
| Tc | 986.53 | K | Relay (1.0) Calculated Property |
| Tfus | 391.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.38; 573.03] | J/mol×K | [1020.20; 1317.25] | 
|
| Cp,gas | 552.38 | J/mol×K | 1020.20 | Joback Calculated Property |
| Cp,gas | 558.65 | J/mol×K | 1069.71 | Joback Calculated Property |
| Cp,gas | 563.69 | J/mol×K | 1119.22 | Joback Calculated Property |
| Cp,gas | 567.56 | J/mol×K | 1168.72 | Joback Calculated Property |
| Cp,gas | 570.35 | J/mol×K | 1218.23 | Joback Calculated Property |
| Cp,gas | 572.15 | J/mol×K | 1267.74 | Joback Calculated Property |
| Cp,gas | 573.03 | J/mol×K | 1317.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diphenyl ether, 2,4,6-trinitro-.
Sources
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