- InChI
- InChI=1S/C15H22NO4P/c1-3-5-10-18-21(17,19-11-6-4-2)20-15-9-7-8-14(12-15)13-16/h7-9,12H,3-6,10-11H2,1-2H3
- InChI Key
- VEZOQVJSNQWZGG-UHFFFAOYSA-N
- Formula
- C15H22NO4P
- SMILES
-
CCCCOP(=O)(OCCCC)Oc1cccc(C#N)c
1 - Molecular Weight1
- 311.31
- 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 | 0.8238 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -649.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.679 | Crippen Calculated Property | |
| McVol | 243.770 | ml/mol | McGowan Calculated Property |
| Pc | 1678.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2215.00 | NIST | |
| I | 2989.00 | NIST | |
| Tboil | 646.03 | K | Relay (1.0) Calculated Property |
| Tc | 833.41 | K | Relay (1.0) Calculated Property |
| Tfus | 251.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibutyl 3-cyano-phenyl 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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