- InChI
- InChI=1S/Br2Cl4N3P3/c1-10(3)7-11(2,4)9-12(5,6)8-10
- InChI Key
- NZOPHDJOTZVWNN-UHFFFAOYSA-N
- Formula
- Br2Cl4N3P3
- SMILES
-
ClP1(Cl)=NP(Cl)(Br)=NP(Cl)(Br)
=N1 - Molecular Weight1
- 436.56
- CAS
- 15964-99-5
- Other Names
-
- 2,2,4,4,6,6-Hexahydro-2,4-dibromo-2,4,6,6-tetrachloro-1,3,5,2,4,6-triazatriphosphorine
- Cyclo-bis(bromochlorophosphonitrile)- dichlorophosphonitrile
- 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 | 0.3890 | Relay (1.0) Calculated Property | |
| ΔfG° | 253.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -4.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 ± 0.10 | eV | NIST |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.584 | Crippen Calculated Property | |
| McVol | 175.280 | ml/mol | McGowan Calculated Property |
| Pc | 2986.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 493.56 | K | Relay (1.0) Calculated Property |
| Tc | 855.30 | K | Relay (1.0) Calculated Property |
| Tfus | 370.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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