- InChI
- InChI=1S/C34H50N2O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-34(38)39-32-27-25-31(26-28-32)36-35-30-23-21-29(22-24-30)33(37)19-6-4-2/h21-28H,3-20H2,1-2H3/b36-35+
- InChI Key
- UXQRVZKVHTYICD-ULDVOPSXSA-N
- Formula
- C34H50N2O3
- SMILES
-
CCCCCCCCCCCCCCCCC(=O)Oc1ccc(N=
Nc2ccc(C(=O)CCCC)cc2)cc1 - Molecular Weight1
- 534.77
- CAS
- 120103-10-8
- 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 | 1.5055 | Relay (1.0) Calculated Property | |
| ΔfG° | 105.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -559.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 156.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.252 | Crippen Calculated Property | |
| McVol | 467.070 | ml/mol | McGowan Calculated Property |
| Pc | 624.06 | kPa | Joback Calculated Property |
| Tboil | 775.30 | K | Relay (1.0) Calculated Property |
| Tc | 1015.99 | K | Relay (1.0) Calculated Property |
| Tfus | 376.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.738 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-n-Pentanoyl-4-n'-heptadecanoyloxyazobenzene.
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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