- InChI
- InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
- InChI Key
- MHSVUSZEHNVFKW-UHFFFAOYSA-N
- Formula
- C12H9N2O8P
- SMILES
-
O=[N+]([O-])c1ccc(OP(=O)(O)Oc2
ccc([N+](=O)[O-])cc2)cc1 - Molecular Weight1
- 340.18
- CAS
- 645-15-8
- Other Names
-
- BNPP
- Bis(4-nitrophenyl) phosphate
- Bis(p-nitrophenyl) phosphate
- Di-p-nitrophenyl phosphate
- NSC 59824
- Phenol, p-nitro-, hydrogen phosphate
- Phosphoric acid bis(p-nitrophenyl ester)
- Phosphoric acid, bis(4-nitrophenyl) ester
- Phosphorsaeure-bis-(p-nitro-phenylester)
- bis(4-nitrophenyl) hydrogen phosphate
- p-Nitrophenyl monohydrogen phosphate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -516.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.061 | Crippen Calculated Property | |
| McVol | 211.200 | ml/mol | McGowan Calculated Property |
| Tboil | 633.05 | K | Relay (1.0) Calculated Property |
| Tfus | 411.58 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to Bis(4-nitrophenyl)phosphoric acid.
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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