- InChI
- InChI=1S/C30H24N3OP/c34-35(31-28-16-13-22-7-1-4-10-25(22)19-28,32-29-17-14-23-8-2-5-11-26(23)20-29)33-30-18-15-24-9-3-6-12-27(24)21-30/h1-21H,(H3,31,32,33,34)
- InChI Key
- BKZIQCXYULPVLY-UHFFFAOYSA-N
- Formula
- C30H24N3OP
- SMILES
-
O=P(Nc1ccc2ccccc2c1)(Nc1ccc2cc
ccc2c1)Nc1ccc2ccccc2c1 - Molecular Weight1
- 473.50
- CAS
- 18112-99-7
- 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 | 1.0019 | Relay (1.0) Calculated Property | |
| ΔfG° | 645.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 341.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 195.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.890 | Crippen Calculated Property | |
| McVol | 360.170 | ml/mol | McGowan Calculated Property |
| Pc | 3233.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 896.66 | K | Relay (1.0) Calculated Property |
| Tc | 1430.91 | K | Relay (1.0) Calculated Property |
| Tfus | 569.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.280 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoric triamide, n,n',n''-tri-2-naphthyl-.
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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