- InChI
- InChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
- InChI Key
- MWAGUKZCDDRDCS-UHFFFAOYSA-N
- Formula
- C12H8N2O5
- SMILES
-
O=[N+]([O-])c1ccc(Oc2ccc([N+](
=O)[O-])cc2)cc1 - Molecular Weight1
- 260.20
- CAS
- 101-63-3
- Other Names
-
- 4,4'-Dinitrodiphenyl ether
- Benzene, 1,1'-oxybis[4-nitro-
- p-Nitrophenyl ether
- p,p'-Dinitrodiphenyl ether
- Bis(4-nitrophenyl) ether
- Di-4-nitrophenyl ether
- Ether, bis(p-nitrophenyl)
- Ether, bis(4-nitrophenyl)
- Oxybis(4-nitrobenzene)
- 4,4'-Dinitrodiphenyl oxide
- NSC 8740
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | 221.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.295 | Crippen Calculated Property | |
| McVol | 173.130 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Tboil | 863.38 | K | Joback Calculated Property |
| Tc | 1148.84 | K | Joback Calculated Property |
| Tfus | 612.33 | K | Joback Calculated Property |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.91; 523.28] | J/mol×K | [863.38; 1148.84] | 
|
| Cp,gas | 480.91 | J/mol×K | 863.38 | Joback Calculated Property |
| Cp,gas | 490.91 | J/mol×K | 910.96 | Joback Calculated Property |
| Cp,gas | 499.63 | J/mol×K | 958.53 | Joback Calculated Property |
| Cp,gas | 507.15 | J/mol×K | 1006.11 | Joback Calculated Property |
| Cp,gas | 513.55 | J/mol×K | 1053.68 | Joback Calculated Property |
| Cp,gas | 518.90 | J/mol×K | 1101.26 | Joback Calculated Property |
| Cp,gas | 523.28 | J/mol×K | 1148.84 | Joback Calculated Property |
| Cp,solid | 421.70 | J/mol×K | 298.00 | NIST |
| ΔfusH | [10.29; 10.29] | kJ/mol | [418.20; 418.20] |
|
| ΔfusH | 10.29 | kJ/mol | 418.20 | NIST |
| ΔfusH | 10.29 | kJ/mol | 418.20 | NIST |
| ΔfusH | 10.29 | kJ/mol | 418.20 | NIST |
| ΔfusS | 24.60 | J/mol×K | 418.20 | NIST |
Similar Compounds
Find more compounds similar to Bis(p-nitrophenyl) ether.
Sources
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