- InChI
- InChI=1S/C8H9N3O6/c1-2-16-8(13)10-9-7(12)5-3-4-6(17-5)11(14)15/h3-4H,2H2,1H3,(H,9,12)(H,10,13)
- InChI Key
- MSOUQGDLZYBZQA-UHFFFAOYSA-N
- Formula
- C8H9N3O6
- SMILES
-
CCOC(=O)NNC(=O)c1ccc([N+](=O)[
O-])o1 - Molecular Weight1
- 243.17
- CAS
- 90223-46-4
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.8243 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -542.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.579 | Crippen Calculated Property | |
| McVol | 156.380 | ml/mol | McGowan Calculated Property |
| Pc | 3196.03 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 568.59 | K | Relay (1.0) Calculated Property |
| Tc | 850.95 | K | Relay (1.0) Calculated Property |
| Tfus | 424.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.576 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbazic acid, 3-(5-nitro-2-furoyl)-, ethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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