- InChI
- InChI=1S/C13H16N2O8/c1-2-21-3-4-22-5-6-23-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3
- InChI Key
- IBROIYRFSMWSLH-UHFFFAOYSA-N
- Formula
- C13H16N2O8
- SMILES
-
CCOCCOCCOC(=O)c1cc([N+](=O)[O-
])cc([N+](=O)[O-])c1 - Molecular Weight1
- 328.27
- 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).
- Inp : Non-polar retention indices.
- 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° | -221.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 1.713 | Crippen Calculated Property | |
| McVol | 224.290 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | [2376.00; 2376.00] |
|
|
| Inp | 2376.00 | NIST | |
| Inp | 2376.00 | NIST | |
| Tboil | 958.29 | K | Joback Calculated Property |
| Tc | 1198.24 | K | Joback Calculated Property |
| Tfus | 691.57 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.01; 726.40] | J/mol×K | [958.29; 1198.24] |
|
| Cp,gas | 693.01 | J/mol×K | 958.29 | Joback Calculated Property |
| Cp,gas | 702.03 | J/mol×K | 998.28 | Joback Calculated Property |
| Cp,gas | 709.67 | J/mol×K | 1038.27 | Joback Calculated Property |
| Cp,gas | 715.94 | J/mol×K | 1078.26 | Joback Calculated Property |
| Cp,gas | 720.82 | J/mol×K | 1118.25 | Joback Calculated Property |
| Cp,gas | 724.31 | J/mol×K | 1158.25 | Joback Calculated Property |
| Cp,gas | 726.40 | J/mol×K | 1198.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-Ethoxyethoxy)ethyl 3,5-dinitrobenzoate.
Sources
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