- InChI
- InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-24(26)23-19-18-20-25-22-23/h18-20,22H,2-17,21H2,1H3
- InChI Key
- LCMBGJRROPDVAA-UHFFFAOYSA-N
- Formula
- C24H41NO2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccn
c1 - Molecular Weight1
- 375.59
- CAS
- 33233-29-3
- Other Names
-
- Nicotinic acid, octadecyl ester
- 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 | 1.1278 | Relay (... Calculated Property | |
| ΔfG° | 25.01 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -591.79 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 122.86 | kJ/mol | Relay (... Calculated Property |
| IE | 9.68 | eV | Relay (... Calculated Property |
| log10WS | -7.51 | Relay (... Calculated Property | |
| logPoct/wat | 7.500 | Crippen Calculated Property | |
| McVol | 342.680 | ml/mol | McGowan Calculated Property |
| Pc | 991.23 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2846.00 | NIST | |
| Tboil | 659.01 | K | Relay (... Calculated Property |
| Tc | 878.53 | K | Relay (... Calculated Property |
| Tfus | 321.16 | K | Relay (... Calculated Property |
| Vc | 1.314 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Octadecyl nicotinate.
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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