- InChI
- InChI=1S/C21H24N2O3/c1-3-5-7-20(24)16-8-10-17(11-9-16)22-23-18-12-14-19(15-13-18)26-21(25)6-4-2/h8-15H,3-7H2,1-2H3/b23-22+
- InChI Key
- IGGPWVPSOWNDOT-GHVJWSGMSA-N
- Formula
- C21H24N2O3
- SMILES
-
CCCCC(=O)c1ccc(N=Nc2ccc(OC(=O)
CCC)cc2)cc1 - Molecular Weight1
- 352.43
- CAS
- 120122-98-7
- 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 1.0186 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -275.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | 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 | 686.11 | K | Relay (1.0) Calculated Property |
| Tc | 936.66 | K | Relay (1.0) Calculated Property |
| Tfus | 369.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.038 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 14.23 | kJ/mol | 373.30 | NIST |
| ΔfusS | 38.12 | J/mol×K | 373.30 | NIST |
Similar Compounds
Find more compounds similar to 4-n-Pentanoyl-4-n'-butanoyloxyazobenzene.
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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