- InChI
- InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-29-24(27)21-15-17-25(18-16-21)23(26)22-14-13-20-28-22/h13-14,20-21H,2-12,15-19H2,1H3
- InChI Key
- KGYCTHKDMDJXOT-UHFFFAOYSA-N
- Formula
- C24H39NO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C1CCN(C(=O)
c2ccco2)CC1 - Molecular Weight1
- 405.57
- 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 | 1.0755 | Relay (... Calculated Property | |
| ΔfG° | -120.04 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -801.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 117.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -5.88 | Relay (... Calculated Property | |
| logPoct/wat | 5.986 | Crippen Calculated Property | |
| McVol | 343.560 | ml/mol | McGowan Calculated Property |
| Pc | 751.76 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3247.00 | NIST | |
| Tboil | 699.98 | K | Relay (... Calculated Property |
| Tc | 913.10 | K | Relay (... Calculated Property |
| Tfus | 339.21 | K | Relay (... Calculated Property |
| Vc | 1.299 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, N-(2-furoyl)-, tridecyl ester.
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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