- InChI
- InChI=1S/C12H14N2O8/c1-20-2-3-21-4-5-22-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19/h6-8H,2-5H2,1H3
- InChI Key
- MPRFLYOPKSBFJK-UHFFFAOYSA-N
- Formula
- C12H14N2O8
- SMILES
-
COCCOCCOC(=O)c1cc([N+](=O)[O-]
)cc([N+](=O)[O-])c1 - Molecular Weight1
- 314.25
- 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° | -229.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -608.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 1.323 | Crippen Calculated Property | |
| McVol | 210.200 | ml/mol | McGowan Calculated Property |
| Pc | 2419.50 | kPa | Joback Calculated Property |
| Inp | [2320.00; 2320.00] |
|
|
| Inp | 2320.00 | NIST | |
| Inp | 2320.00 | NIST | |
| Tboil | 935.41 | K | Joback Calculated Property |
| Tc | 1177.42 | K | Joback Calculated Property |
| Tfus | 680.30 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.14; 670.53] | J/mol×K | [935.41; 1177.42] |
|
| Cp,gas | 637.14 | J/mol×K | 935.41 | Joback Calculated Property |
| Cp,gas | 646.07 | J/mol×K | 975.75 | Joback Calculated Property |
| Cp,gas | 653.66 | J/mol×K | 1016.08 | Joback Calculated Property |
| Cp,gas | 659.92 | J/mol×K | 1056.42 | Joback Calculated Property |
| Cp,gas | 664.82 | J/mol×K | 1096.75 | Joback Calculated Property |
| Cp,gas | 668.36 | J/mol×K | 1137.09 | Joback Calculated Property |
| Cp,gas | 670.53 | J/mol×K | 1177.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-Methoxyethoxy)ethyl 3,5-dinitrobenzoate.
Sources
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