- InChI
- InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
- InChI Key
- XJQPQKLURWNAAH-UHFFFAOYSA-N
- Formula
- C18H29NO3
- SMILES
-
COc1cc(CN=C(O)CCCCCCC(C)C)ccc1
O - Molecular Weight1
- 307.43
- CAS
- 19408-84-5
- Other Names
-
- 8-methyl-N-vanillylnonanamide
- N-(4-hydroxy-3-methoxybenzyl)-8-methylnonanamide
- Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 1.0666 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -603.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Measurement and Correlation for the Solubilities of Dihydrocapsaicin in n-Heptane, n-Hexane, n-Pentane, Ethyl Acetate, Acetone, Ethanol, and Water |
| ΔvapH° | 133.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.854 | Crippen Calculated Property | |
| McVol | 264.010 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Inp | 2616.10 | NIST | |
| Tboil | 644.74 | K | Relay (1.0) Calculated Property |
| Tc | 877.43 | K | Relay (1.0) Calculated Property |
| Tfus | 393.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dihydrocapsaicin.
Mixtures
- Heptane + Dihydrocapsaicin
- n-Hexane + Dihydrocapsaicin
- Pentane + Dihydrocapsaicin
- Ethyl Acetate + Dihydrocapsaicin
- Acetone + Dihydrocapsaicin
- Ethanol + Dihydrocapsaicin
- Water + Dihydrocapsaicin
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
- Measurement and Correlation for the Solubilities of Dihydrocapsaicin in n-Heptane, n-Hexane, n-Pentane, Ethyl Acetate, Acetone, Ethanol, and Water
- Joback Method
- McGowan Method
- NIST Webbook
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