- InChI
- InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
- InChI Key
- YKPUWZUDDOIDPM-SOFGYWHQSA-N
- Formula
- C18H27NO3
- SMILES
-
COc1cc(CN=C(O)CCCCC=CC(C)C)ccc
1O - Molecular Weight1
- 305.41
- CAS
- 404-86-4
- Other Names
-
- (E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
- (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide
- 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-
- 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-
- Adlea
- Axsain
- Capsaicine
- E-Capsaicin
- Mioton
- N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide
- N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide
- NCI-C56564
- Zostrix
- trans-8-Methyl-N-vanillyl-6-nonenamide
- trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -467.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 4.630 | Crippen Calculated Property | |
| McVol | 259.710 | ml/mol | McGowan Calculated Property |
| Pc | 1671.43 | kPa | Joback Calculated Property |
| Tboil | 918.40 | K | Joback Calculated Property |
| Tc | 1134.15 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Capsaicin.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solubility of Binary and Ternary Systems Containing Vanillin and Vanillic Acid in Supercritical Carbon Dioxide
- Solubilities of Palmitic Acid + Capsaicin in Supercritical Carbon Dioxide
- Solubilities of Binary Systems alpha-Tocopherol + Capsaicin and alpha-Tocopherol + Palmitic Acid in Supercritical Carbon Dioxide
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.