- InChI
- InChI=1S/C14H22NO6P/c1-3-5-10-19-22(18,20-11-6-4-2)21-14-9-7-8-13(12-14)15(16)17/h7-9,12H,3-6,10-11H2,1-2H3
- InChI Key
- QDLDODXSBVDDJI-UHFFFAOYSA-N
- Formula
- C14H22NO6P
- SMILES
-
CCCCOP(=O)(OCCCC)Oc1cccc([N+](
=O)[O-])c1 - Molecular Weight1
- 331.30
- 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 | 0.8896 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -764.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.715 | Crippen Calculated Property | |
| McVol | 245.720 | ml/mol | McGowan Calculated Property |
| Pc | 1689.03 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2326.00; 2326.00] |
|
|
| Inp | 2326.00 | NIST | |
| Inp | 2326.00 | NIST | |
| I | 3112.00 | NIST | |
| Tboil | 636.93 | K | Relay (1.0) Calculated Property |
| Tc | 847.68 | K | Relay (1.0) Calculated Property |
| Tfus | 253.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dibutyl 3-nitro-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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