- InChI
- InChI=1S/C8H9Cl3NO3P/c1-2-14-16(12,13)15-8-4-6(10)5(9)3-7(8)11/h3-4H,2H2,1H3,(H2,12,13)
- InChI Key
- CGANBZPQXLOTHR-UHFFFAOYSA-N
- Formula
- C8H9Cl3NO3P
- SMILES
- CCOP(N)(=O)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 304.50
- 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 | 0.7021 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -590.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.129 | Crippen Calculated Property | |
| McVol | 184.590 | ml/mol | McGowan Calculated Property |
| Pc | 2456.54 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.71 | K | Relay (1.0) Calculated Property |
| Tc | 839.47 | K | Relay (1.0) Calculated Property |
| Tfus | 362.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoramidic acid, (2,4,5-trichlorophenyl) 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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