- InChI
- InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24(27)23-16-18-26(19-17-23)25(28)30-21-22(2)3/h22-23H,4-21H2,1-3H3
- InChI Key
- CKJVGYLAJGZGAH-UHFFFAOYSA-N
- Formula
- C25H47NO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCN(C(=O
)OCC(C)C)CC1 - Molecular Weight1
- 425.64
- 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 | 1.1296 | Relay (... Calculated Property | |
| ΔfG° | -200.22 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1091.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.15 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -5.99 | Relay (... Calculated Property | |
| logPoct/wat | 6.735 | Crippen Calculated Property | |
| McVol | 377.110 | ml/mol | McGowan Calculated Property |
| Pc | 506.87 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3178.00; 3178.00] |
|
|
| Inp | 3178.00 | NIST | |
| Inp | 3178.00 | NIST | |
| Tboil | 681.66 | K | Relay (... Calculated Property |
| Tc | 879.29 | K | Relay (... Calculated Property |
| Tfus | 309.00 | K | Relay (... Calculated Property |
| Vc | 1.423 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, N-isobutoxycarbonyl-, tetradecyl ester.
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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