- InChI
- InChI=1S/C18H29NO4/c1-20-17-7-3-4-8-18(17)23-16-15-22-14-13-21-12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-16H2,1H3
- InChI Key
- PPVFOZYARYOARE-UHFFFAOYSA-N
- Formula
- C18H29NO4
- SMILES
- COc1ccccc1OCCOCCOCCN1CCCCC1
- Molecular Weight1
- 323.43
- CAS
- 852-42-6
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8575 | Relay (... Calculated Property | |
| ΔfG° | -79.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -574.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.78 | kJ/mol | Relay (... Calculated Property |
| IE | 7.79 | eV | Relay (... Calculated Property |
| log10WS | -1.41 | Relay (... Calculated Property | |
| logPoct/wat | 2.593 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1682.49 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2369.00; 2369.00] |
|
|
| Inp | 2369.00 | NIST | |
| Inp | 2369.00 | NIST | |
| Tboil | 666.41 | K | Relay (... Calculated Property |
| Tc | 862.40 | K | Relay (... Calculated Property |
| Tfus | 315.84 | K | Relay (... Calculated Property |
| Vc | 0.966 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Guaiapate.
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
- McGowan Method
- NIST Webbook
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