- InChI
- InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2
- InChI Key
- XXIDKSWYSYEFAG-UHFFFAOYSA-N
- Formula
- C6H12Cl3O3P
- SMILES
- O=P(CCCl)(OCCCl)OCCCl
- Molecular Weight1
- 269.49
- CAS
- 6294-34-4
- Other Names
-
- Bis(«beta»-chloroethyl)-«beta»-chloroethyl phosphonate
- Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester
- 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 | 0.6214 | Relay (... Calculated Property | |
| ΔfG° | -399.95 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -709.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.42 | kJ/mol | Relay (... Calculated Property |
| IE | 10.33 | eV | Relay (... Calculated Property |
| log10WS | -1.38 | Relay (... Calculated Property | |
| logPoct/wat | 2.929 | Crippen Calculated Property | |
| McVol | 170.190 | ml/mol | McGowan Calculated Property |
| Pc | 2715.49 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 576.94 | K | Relay (... Calculated Property |
| Tc | 763.37 | K | Relay (... Calculated Property |
| Tfus | 249.27 | K | Relay (... Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Bis-2-chloroethyl-2-chloroethylphosphonate.
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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