- InChI
- InChI=1S/C2H3N3O6/c1-2(3(6)7,4(8)9)5(10)11/h1H3
- InChI Key
- HSYGKEBJFKQOLE-UHFFFAOYSA-N
- Formula
- C2H3N3O6
- SMILES
-
CC([N+](=O)[O-])([N+](=O)[O-])
[N+](=O)[O-] - Molecular Weight1
- 165.06
- CAS
- 595-86-8
- Other Names
-
- 1,1,1-Trinitroethane
- 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 | 0.4470 | Relay (... Calculated Property | |
| ΔfG° | 75.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -10.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.60 | kJ/mol | Relay (... Calculated Property |
| IE | 11.57 | eV | Relay (... Calculated Property |
| log10WS | -2.42 | Relay (... Calculated Property | |
| logPoct/wat | -0.510 | Crippen Calculated Property | |
| McVol | 91.300 | ml/mol | McGowan Calculated Property |
| Pc | 5446.55 | kPa | Joback Calculated Property |
| Tboil | 382.64 | K | Relay (... Calculated Property |
| Tc | 717.20 | K | Relay (... Calculated Property |
| Tfus | 285.56 | K | Relay (... Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.38; 261.73] | J/mol×K | [697.45; 985.78] | 
|
| Cp,gas | 233.38 | J/mol×K | 697.45 | Joback Calculated Property |
| Cp,gas | 239.75 | J/mol×K | 745.51 | Joback Calculated Property |
| Cp,gas | 245.33 | J/mol×K | 793.56 | Joback Calculated Property |
| Cp,gas | 250.23 | J/mol×K | 841.62 | Joback Calculated Property |
| Cp,gas | 254.53 | J/mol×K | 889.67 | Joback Calculated Property |
| Cp,gas | 258.33 | J/mol×K | 937.73 | Joback Calculated Property |
| Cp,gas | 261.73 | J/mol×K | 985.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1,1,1-trinitro-.
Sources
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