- InChI
- InChI=1S/C14H17N2O5P/c1-3-19-22(18,20-4-2)21-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
- InChI Key
- MHICILHCOSRBTA-UHFFFAOYSA-N
- Formula
- C14H17N2O5P
- SMILES
-
CCOP(=O)(OCC)Oc1ccc(=O)n(-c2cc
ccc2)n1 - Molecular Weight1
- 324.27
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7764 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -610.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 230.370 | ml/mol | McGowan Calculated Property |
| Pc | 1976.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2311.00 | NIST | |
| Tboil | 677.82 | K | Relay (1.0) Calculated Property |
| Tc | 898.21 | K | Relay (1.0) Calculated Property |
| Tfus | 324.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyridaphenthion oxon.
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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