- InChI
- InChI=1S/C5H9N3O7/c1-3-15-4(2)5(6(9)10,7(11)12)8(13)14/h4H,3H2,1-2H3
- InChI Key
- HTKFBMXRRYDJDL-UHFFFAOYSA-N
- Formula
- C5H9N3O7
- SMILES
-
CCOC(C)C([N+](=O)[O-])([N+](=O
)[O-])[N+](=O)[O-] - Molecular Weight1
- 223.14
- CAS
- 26459-85-8
- 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 | 0.5505 | Relay (... Calculated Property | |
| ΔfG° | -6.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.49 | kJ/mol | Relay (... Calculated Property |
| IE | 11.44 | eV | Relay (... Calculated Property |
| log10WS | -2.19 | Relay (... Calculated Property | |
| logPoct/wat | -0.105 | Crippen Calculated Property | |
| McVol | 139.440 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| Tboil | 434.31 | K | Relay (... Calculated Property |
| Tc | 736.35 | K | Relay (... Calculated Property |
| Tfus | 248.58 | K | Relay (... Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.28; 442.78] | J/mol×K | [788.07; 1055.12] | 
|
| Cp,gas | 401.28 | J/mol×K | 788.07 | Joback Calculated Property |
| Cp,gas | 410.33 | J/mol×K | 832.58 | Joback Calculated Property |
| Cp,gas | 418.43 | J/mol×K | 877.09 | Joback Calculated Property |
| Cp,gas | 425.66 | J/mol×K | 921.60 | Joback Calculated Property |
| Cp,gas | 432.09 | J/mol×K | 966.11 | Joback Calculated Property |
| Cp,gas | 437.77 | J/mol×K | 1010.61 | Joback Calculated Property |
| Cp,gas | 442.78 | J/mol×K | 1055.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1-Trinitro-2-ethoxypropane.
Sources
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