- InChI
- InChI=1S/C21H18N2O2/c1-16-7-9-19(10-8-16)22-23-20-11-12-21(18(13-20)14-24)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b23-22+
- InChI Key
- KZFQUMZOUTZXLB-GHVJWSGMSA-N
- Formula
- C21H18N2O2
- SMILES
-
Cc1ccc(N=Nc2ccc(OCc3ccccc3)c(C
=O)c2)cc1 - Molecular Weight1
- 330.38
- CAS
- 87730-62-9
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.8433 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -11230.40 | kJ/mol | NIST |
| ΔfG° | 268.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 191.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 394.10 | kJ/mol | NIST |
| ΔvapH° | 110.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.802 | Crippen Calculated Property | |
| McVol | 258.570 | ml/mol | McGowan Calculated Property |
| Pc | 1611.58 | kPa | Joback Calculated Property |
| Tboil | 709.14 | K | Relay (1.0) Calculated Property |
| Tc | 1032.75 | K | Relay (1.0) Calculated Property |
| Tfus | 378.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.933 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-3'-formyl-4'-benzyloxyazobenzene.
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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