- InChI
- InChI=1S/C21H45O4P/c1-4-7-10-13-16-19-23-26(22,24-20-17-14-11-8-5-2)25-21-18-15-12-9-6-3/h4-21H2,1-3H3
- InChI Key
- GSURLQOINUQIIH-UHFFFAOYSA-N
- Formula
- C21H45O4P
- SMILES
-
CCCCCCCOP(=O)(OCCCCCCC)OCCCCCC
C - Molecular Weight1
- 392.55
- Other Names
-
- Triheptyl phosphate
- 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).
- Inp : Non-polar retention indices.
- 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 | 1.0508 | Relay (... Calculated Property | |
| ΔfG° | -324.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1142.85 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.59 | kJ/mol | Relay (... Calculated Property |
| IE | 10.05 | eV | Relay (... Calculated Property |
| log10WS | -6.34 | Relay (... Calculated Property | |
| logPoct/wat | 8.056 | Crippen Calculated Property | |
| McVol | 350.690 | ml/mol | McGowan Calculated Property |
| Pc | 1014.78 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2459.00 | NIST | |
| Tboil | 648.24 | K | Relay (... Calculated Property |
| Tc | 791.31 | K | Relay (... Calculated Property |
| Tfus | 248.42 | K | Relay (... Calculated Property |
| Vc | 1.374 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoric acid, triheptyl ester.
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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