- InChI
- InChI=1S/C10H13N2O7P/c1-3-18-20(17,19-4-2)10-6-5-8(11(13)14)7-9(10)12(15)16/h5-7H,3-4H2,1-2H3
- InChI Key
- LPSHIFRMUWUDDI-UHFFFAOYSA-N
- Formula
- C10H13N2O7P
- SMILES
-
CCOP(=O)(OCC)c1ccc([N+](=O)[O-
])cc1[N+](=O)[O-] - Molecular Weight1
- 304.19
- CAS
- 23081-75-6
- 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 | 0.7999 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -510.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.394 | Crippen Calculated Property | |
| McVol | 200.910 | ml/mol | McGowan Calculated Property |
| Pc | 2044.20 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 615.42 | K | Relay (1.0) Calculated Property |
| Tc | 868.30 | K | Relay (1.0) Calculated Property |
| Tfus | 313.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, (2,4-dinitrophenyl)-, 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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