- InChI
- InChI=1S/C21H24N2O3/c1-3-5-6-7-21(25)26-19-14-12-18(13-15-19)23-22-17-10-8-16(9-11-17)20(24)4-2/h8-15H,3-7H2,1-2H3/b23-22+
- InChI Key
- WFBBAYATFGFPGM-GHVJWSGMSA-N
- Formula
- C21H24N2O3
- SMILES
-
CCCCCC(=O)Oc1ccc(N=Nc2ccc(C(=O
)CC)cc2)cc1 - Molecular Weight1
- 352.43
- CAS
- 76204-66-5
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 1.0181 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -276.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.180 | Crippen Calculated Property | |
| McVol | 283.900 | ml/mol | McGowan Calculated Property |
| Pc | 1317.52 | kPa | Joback Calculated Property |
| Tboil | 686.70 | K | Relay (1.0) Calculated Property |
| Tc | 940.36 | K | Relay (1.0) Calculated Property |
| Tfus | 389.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 29.79 | kJ/mol | 372.15 | NIST |
Similar Compounds
Find more compounds similar to 4-Propionyl-4'-n-hexanoyloxyazobenzene.
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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