- InChI
- InChI=1S/C14H12N2O5/c17-15(18)13-5-1-3-11(7-13)9-21-10-12-4-2-6-14(8-12)16(19)20/h1-8H,9-10H2
- InChI Key
- LDDKBZYKNBNGSA-UHFFFAOYSA-N
- Formula
- C14H12N2O5
- SMILES
-
O=[N+]([O-])c1cccc(COCc2cccc([
N+](=O)[O-])c2)c1 - Molecular Weight1
- 288.26
- CAS
- 27183-43-3
- 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).
- 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° | 238.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -35.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 3.220 | Crippen Calculated Property | |
| McVol | 201.310 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| Tboil | 909.14 | K | Joback Calculated Property |
| Tc | 1181.60 | K | Joback Calculated Property |
| Tfus | 634.87 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.43; 635.82] | J/mol×K | [909.14; 1181.60] | 
|
| Cp,gas | 589.43 | J/mol×K | 909.14 | Joback Calculated Property |
| Cp,gas | 600.06 | J/mol×K | 954.55 | Joback Calculated Property |
| Cp,gas | 609.42 | J/mol×K | 999.96 | Joback Calculated Property |
| Cp,gas | 617.60 | J/mol×K | 1045.37 | Joback Calculated Property |
| Cp,gas | 624.68 | J/mol×K | 1090.78 | Joback Calculated Property |
| Cp,gas | 630.72 | J/mol×K | 1136.19 | Joback Calculated Property |
| Cp,gas | 635.82 | J/mol×K | 1181.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ether, bis(m-nitrobenzyl)-.
Sources
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