- InChI
- InChI=1S/C24H30N3OP/c1-16-7-10-22(19(4)13-16)25-29(28,26-23-11-8-17(2)14-20(23)5)27-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3,(H3,25,26,27,28)
- InChI Key
- WBEDASGBYSCFSL-UHFFFAOYSA-N
- Formula
- C24H30N3OP
- SMILES
-
Cc1ccc(NP(=O)(Nc2ccc(C)cc2C)Nc
2ccc(C)cc2C)c(C)c1 - Molecular Weight1
- 407.49
- CAS
- 116402-14-3
- 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 | 0.9679 | Relay (1.0) Calculated Property | |
| ΔfG° | 374.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -59.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 145.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.281 | Crippen Calculated Property | |
| McVol | 334.010 | ml/mol | McGowan Calculated Property |
| Pc | 2417.04 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 707.62 | K | Relay (1.0) Calculated Property |
| Tc | 1139.85 | K | Relay (1.0) Calculated Property |
| Tfus | 466.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoric triamide, n,n',n''-tris-(2,4-dimethyl phenyl)-.
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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