- 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
-
- Phosphoric acid, bis(4-nitrophenyl) ester
- p-Nitrophenyl monohydrogen phosphate
- Bis(p-nitrophenyl) phosphate
- Bis(4-nitrophenyl) phosphate
- BNPP
- Di-p-nitrophenyl phosphate
- Phosphoric acid bis(p-nitrophenyl ester)
- Phenol, p-nitro-, hydrogen phosphate
- Phosphorsaeure-bis-(p-nitro-phenylester)
- NSC 59824
- bis(4-nitrophenyl) hydrogen phosphate
- 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 | 1.0961 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -516.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.61 | 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 |
| Pc | 2391.06 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 633.05 | K | Relay (1.0) Calculated Property |
| Tc | 999.52 | K | Relay (1.0) Calculated Property |
| Tfus | 408.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
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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