- InChI
- InChI=1S/C23H31NO/c1-3-5-7-8-9-20-10-14-22(15-11-20)24-19-21-12-16-23(17-13-21)25-18-6-4-2/h10-17,19H,3-9,18H2,1-2H3
- InChI Key
- OFIBDXCRLAWBQU-UHFFFAOYSA-N
- Formula
- C23H31NO
- SMILES
-
CCCCCCc1ccc(N=Cc2ccc(OCCCC)cc2
)cc1 - Molecular Weight1
- 337.50
- CAS
- 39777-12-3
- 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 | 0.9376 | Relay (... Calculated Property | |
| ΔfG° | 251.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -99.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.35 | kJ/mol | Relay (... Calculated Property |
| IE | 7.49 | eV | Relay (... Calculated Property |
| log10WS | -6.95 | Relay (... Calculated Property | |
| logPoct/wat | 6.739 | Crippen Calculated Property | |
| McVol | 298.960 | ml/mol | McGowan Calculated Property |
| Pc | 1176.05 | kPa | Joback Calculated Property |
| Tboil | 695.35 | K | Relay (... Calculated Property |
| Tc | 903.43 | K | Relay (... Calculated Property |
| Tfus | 326.97 | K | Relay (... Calculated Property |
| Vc | 1.099 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-Butoxybenzylidene p-hexylaniline.
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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