- InChI
- InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
- InChI Key
- YICSVBJRVMLQNS-UHFFFAOYSA-N
- Formula
- C14H23O4P
- SMILES
- CCCCOP(=O)(OCCCC)Oc1ccccc1
- Molecular Weight1
- 286.30
- CAS
- 2528-36-1
- Other Names
-
- Dibutyl phenyl 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.
- I : 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 | 0.7455 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -763.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.807 | Crippen Calculated Property | |
| McVol | 228.300 | ml/mol | McGowan Calculated Property |
| Pc | 1800.74 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1889.00; 1889.00] |
|
|
| Inp | 1889.00 | NIST | |
| Inp | 1889.00 | NIST | |
| I | [2596.00; 2596.00] |
|
|
| I | 2596.00 | NIST | |
| I | 2596.00 | NIST | |
| Tboil | 599.94 | K | Relay (1.0) Calculated Property |
| Tc | 777.65 | K | Relay (1.0) Calculated Property |
| Tfus | 219.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.862 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoric acid, dibutyl phenyl 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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