- InChI
- InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3
- InChI Key
- VRAFLAJRBDTYBS-UHFFFAOYSA-N
- Formula
- C21H41NO
- SMILES
- CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1
- Molecular Weight1
- 323.56
- Other Names
-
- 1-(14-methylhexadecanoyl)pyrrolidine
- 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 | 0.9090 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -593.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.336 | Crippen Calculated Property | |
| McVol | 307.440 | ml/mol | McGowan Calculated Property |
| Pc | 1000.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2605.00 | NIST | |
| Tboil | 626.78 | K | Relay (1.0) Calculated Property |
| Tc | 848.72 | K | Relay (1.0) Calculated Property |
| Tfus | 309.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 14-Methylhexadecanoic acid, pyrrolidide.
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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