- InChI
- InChI=1S/C37H74O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-44-40-33-37(34-41-44)35-42-45(43-36-37)39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
- InChI Key
- NCNOFYROBGZOKR-UHFFFAOYSA-N
- Formula
- C37H74O6P2
- SMILES
-
CCCCCCCCCCCCCCCCOP1OCC2(CO1)CO
P(OCCCCCCCCCCCCCCCC)OC2 - Molecular Weight1
- 676.93
- CAS
- 72732-57-1
- 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 | 1.5162 | Relay (... Calculated Property | |
| ΔfG° | -104.71 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1514.22 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 178.22 | kJ/mol | Relay (... Calculated Property |
| IE | 9.62 | eV | Relay (... Calculated Property |
| log10WS | -11.01 | Relay (... Calculated Property | |
| logPoct/wat | 13.516 | Crippen Calculated Property | |
| McVol | 586.610 | ml/mol | McGowan Calculated Property |
| Pc | -502.85 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 801.68 | K | Relay (... Calculated Property |
| Tc | 975.86 | K | Relay (... Calculated Property |
| Tfus | 341.65 | K | Relay (... Calculated Property |
| Vc | 2.255 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pentaerythritol, bis(cyclic hexadecyl phosphite).
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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