- InChI
- InChI=1S/C14H23O2P/c1-3-5-12-15-17(16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
- InChI Key
- YBAAIJIDIRQVLY-UHFFFAOYSA-N
- Formula
- C14H23O2P
- SMILES
- CCCCOP(OCCCC)c1ccccc1
- Molecular Weight1
- 254.31
- CAS
- 3030-90-8
- Other Names
-
- Dibutyl phenylphosphonate
- 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 | 0.6558 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -336.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.257 | Crippen Calculated Property | |
| McVol | 216.560 | ml/mol | McGowan Calculated Property |
| Pc | 1994.23 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 556.21 | K | Relay (1.0) Calculated Property |
| Tc | 751.27 | K | Relay (1.0) Calculated Property |
| Tfus | 222.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonous acid, phenyl-, dibutyl 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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