- InChI
- InChI=1S/C20H37NO4/c1-3-5-7-8-9-10-11-17-24-19(22)18-12-14-21(15-13-18)20(23)25-16-6-4-2/h18H,3-17H2,1-2H3
- InChI Key
- SDSBTJSOTHAUFS-UHFFFAOYSA-N
- Formula
- C20H37NO4
- SMILES
-
CCCCCCCCCOC(=O)C1CCN(C(=O)OCCC
C)CC1 - Molecular Weight1
- 355.51
- 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 | 0.9762 | Relay (... Calculated Property | |
| ΔfG° | -240.11 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -971.86 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.55 | kJ/mol | Relay (... Calculated Property |
| IE | 9.04 | eV | Relay (... Calculated Property |
| log10WS | -4.43 | Relay (... Calculated Property | |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 306.660 | ml/mol | McGowan Calculated Property |
| Pc | 1114.42 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2571.00; 2571.00] |
|
|
| Inp | 2571.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Tboil | 646.08 | K | Relay (... Calculated Property |
| Tc | 845.45 | K | Relay (... Calculated Property |
| Tfus | 285.10 | K | Relay (... Calculated Property |
| Vc | 1.152 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, n-butoxycarbonyl-, nonyl 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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