- InChI
- InChI=1S/C27H39NO/c1-3-5-7-8-9-10-11-12-22-29-27-20-16-25(17-21-27)23-28-26-18-14-24(15-19-26)13-6-4-2/h14-21,23H,3-13,22H2,1-2H3
- InChI Key
- MSABKRNOGDWYAE-UHFFFAOYSA-N
- Formula
- C27H39NO
- SMILES
-
CCCCCCCCCCOc1ccc(C=Nc2ccc(CCCC
)cc2)cc1 - Molecular Weight1
- 393.60
- CAS
- 51749-29-2
- 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 | 1.0982 | Relay (... Calculated Property | |
| ΔfG° | 277.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -184.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 122.45 | kJ/mol | Relay (... Calculated Property |
| IE | 7.52 | eV | Relay (... Calculated Property |
| log10WS | -8.13 | Relay (... Calculated Property | |
| logPoct/wat | 8.299 | Crippen Calculated Property | |
| McVol | 355.320 | ml/mol | McGowan Calculated Property |
| Pc | 918.27 | kPa | Joback Calculated Property |
| Tboil | 721.17 | K | Relay (... Calculated Property |
| Tc | 929.99 | K | Relay (... Calculated Property |
| Tfus | 336.49 | K | Relay (... Calculated Property |
| Vc | 1.317 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-Decyloxybenzylidene p-butylaniline.
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
- Joback Method
- McGowan Method
- NIST Webbook
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