- InChI
- InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-23(25)22-18-17-19-24-21-22/h17-19,21H,2-16,20H2,1H3
- InChI Key
- NBHWTRRFTRBYCL-UHFFFAOYSA-N
- Formula
- C23H39NO2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1cccnc
1 - Molecular Weight1
- 361.56
- CAS
- 862594-96-5
- Other Names
-
- Nicotinic acid, heptadecyl 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 | 1.0924 | Relay (... Calculated Property | |
| ΔfG° | 17.22 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -570.60 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.63 | kJ/mol | Relay (... Calculated Property |
| IE | 9.65 | eV | Relay (... Calculated Property |
| log10WS | -7.21 | Relay (... Calculated Property | |
| logPoct/wat | 7.110 | Crippen Calculated Property | |
| McVol | 328.590 | ml/mol | McGowan Calculated Property |
| Pc | 1080.08 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2752.00 | NIST | |
| Tboil | 652.55 | K | Relay (... Calculated Property |
| Tc | 871.77 | K | Relay (... Calculated Property |
| Tfus | 318.61 | K | Relay (... Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecan-1-ol, 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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