- InChI
- InChI=1S/C26H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-30-25(28)24-18-20-27(21-19-24)26(29)31-22-6-4-2/h24H,3-23H2,1-2H3
- InChI Key
- OJWSGJXQJWWKAL-UHFFFAOYSA-N
- Formula
- C26H49NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCN(C(=
O)OCCCC)CC1 - Molecular Weight1
- 439.67
- 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).
- 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 | 1.1886 | Relay (... Calculated Property | |
| ΔfG° | -189.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1092.27 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 126.96 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -6.27 | Relay (... Calculated Property | |
| logPoct/wat | 7.269 | Crippen Calculated Property | |
| McVol | 391.200 | ml/mol | McGowan Calculated Property |
| Pc | 576.18 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 684.72 | K | Relay (... Calculated Property |
| Tc | 888.66 | K | Relay (... Calculated Property |
| Tfus | 305.37 | K | Relay (... Calculated Property |
| Vc | 1.480 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, n-butoxycarbonyl-, pentadecyl 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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