- InChI
- InChI=1S/C22H29NO/c1-3-5-7-8-19-9-13-21(14-10-19)23-18-20-11-15-22(16-12-20)24-17-6-4-2/h9-16,18H,3-8,17H2,1-2H3
- InChI Key
- HRVNADYIJXVWHM-UHFFFAOYSA-N
- Formula
- C22H29NO
- SMILES
-
CCCCCc1ccc(N=Cc2ccc(OCCCC)cc2)
cc1 - Molecular Weight1
- 323.47
- CAS
- 39777-05-4
- Other Names
-
- Benzenamine, N-[(4-butoxyphenyl)methylene]-4-pentyl-
- 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 | 0.8967 | Relay (... Calculated Property | |
| ΔfG° | 245.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -77.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.55 | kJ/mol | Relay (... Calculated Property |
| IE | 7.49 | eV | Relay (... Calculated Property |
| log10WS | -6.64 | Relay (... Calculated Property | |
| logPoct/wat | 6.349 | Crippen Calculated Property | |
| McVol | 284.870 | ml/mol | McGowan Calculated Property |
| Pc | 1257.48 | kPa | Joback Calculated Property |
| Tboil | 688.62 | K | Relay (... Calculated Property |
| Tc | 896.60 | K | Relay (... Calculated Property |
| Tfus | 329.51 | K | Relay (... Calculated Property |
| Vc | 1.045 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-Butoxybenzylidene-p-pentylaniline.
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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