- InChI
- InChI=1S/C54H90N3OP/c1-4-7-10-13-16-19-22-25-28-31-34-49-37-43-52(44-38-49)55-59(58,56-53-45-39-50(40-46-53)35-32-29-26-23-20-17-14-11-8-5-2)57-54-47-41-51(42-48-54)36-33-30-27-24-21-18-15-12-9-6-3/h37-48H,4-36H2,1-3H3,(H3,55,56,57,58)
- InChI Key
- VWIOIKUKSPGPOB-UHFFFAOYSA-N
- Formula
- C54H90N3OP
- SMILES
-
CCCCCCCCCCCCc1ccc(NP(=O)(Nc2cc
c(CCCCCCCCCCCC)cc2)Nc2ccc(CCCC CCCCCCCC)cc2)cc1 - Molecular Weight1
- 828.29
- CAS
- 116295-70-6
- 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 | 2.1099 | Relay (... Calculated Property | |
| ΔfG° | 598.78 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -673.65 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 254.53 | kJ/mol | Relay (... Calculated Property |
| IE | 7.80 | eV | Relay (... Calculated Property |
| log10WS | -14.80 | Relay (... Calculated Property | |
| logPoct/wat | 18.821 | Crippen Calculated Property | |
| McVol | 756.710 | ml/mol | McGowan Calculated Property |
| Pc | -949.11 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 934.44 | K | Relay (... Calculated Property |
| Tc | 1257.92 | K | Relay (... Calculated Property |
| Tfus | 425.49 | K | Relay (... Calculated Property |
| Vc | 2.787 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoric triamide, n,n',n''-tri-p-dodecyl 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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