- InChI
- InChI=1S/C6H14ClO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3
- InChI Key
- GMDLEOVIACJWTD-UHFFFAOYSA-N
- Formula
- C6H14ClO3P
- SMILES
- CCOP(=O)(CCCl)OCC
- Molecular Weight1
- 200.60
- CAS
- 10419-79-1
- Other Names
-
- Diethyl (2-chloroethyl)phosphonate
- Diethyl 2-chloroethanephosphonate
- (2-Chloroethyl)phosphonic acid diethyl 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 | 0.4948 | Relay (1.0) Calculated Property | |
| ΔfG° | -373.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -684.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.491 | Crippen Calculated Property | |
| McVol | 145.710 | ml/mol | McGowan Calculated Property |
| Pc | 2615.68 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 528.53 | K | Relay (1.0) Calculated Property |
| Tc | 664.92 | K | Relay (1.0) Calculated Property |
| Tfus | 225.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, (2-chloroethyl)-, diethyl 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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