- InChI
- InChI=1S/C6H6ClN5O4S/c7-1-2-11(10-14)6(13)9-5-8-3-4(17-5)12(15)16/h3H,1-2H2,(H,8,9,13)
- InChI Key
- JUYYKEIJMDGWID-UHFFFAOYSA-N
- Formula
- C6H6ClN5O4S
- SMILES
-
O=NN(CCCl)C(O)=Nc1ncc([N+](=O)
[O-])s1 - Molecular Weight1
- 279.66
- CAS
- 33024-33-8
- 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 | 0.9717 | Relay (1.0) Calculated Property | |
| ΔfG° | 290.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 23.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.819 | Crippen Calculated Property | |
| McVol | 165.010 | ml/mol | McGowan Calculated Property |
| Pc | 4572.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 589.31 | K | Relay (1.0) Calculated Property |
| Tc | 947.83 | K | Relay (1.0) Calculated Property |
| Tfus | 396.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Urea, n-(2-chloroethyl)-n-nitroso-n'-(5-nitrothiazol-2-yl)-.
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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