- InChI
- InChI=1S/C26H55O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-26H2,1-2H3
- InChI Key
- BDZYUTQMWUWPLZ-UHFFFAOYSA-N
- Formula
- C26H55O3P
- SMILES
-
CCCCCCCCCCCCCO[PH](=O)OCCCCCCC
CCCCCC - Molecular Weight1
- 446.69
- CAS
- 36432-46-9
- Other Names
-
- ditridecyl phosphonate
- 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 | 1.2356 | Relay (1.0) Calculated Property | |
| ΔfG° | -164.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1065.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 140.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.031 | Crippen Calculated Property | |
| McVol | 415.270 | ml/mol | McGowan Calculated Property |
| Pc | 688.26 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 689.26 | K | Relay (1.0) Calculated Property |
| Tc | 839.86 | K | Relay (1.0) Calculated Property |
| Tfus | 318.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.624 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Di-tridecyl hydrogen phosphate.
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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