- InChI
- InChI=1S/C20H41NO2/c1-3-5-7-9-11-12-13-14-16-18-21-20(22)23-19-17-15-10-8-6-4-2/h3-19H2,1-2H3,(H,21,22)
- InChI Key
- ZJIBREGPWJRAKD-UHFFFAOYSA-N
- Formula
- C20H41NO2
- SMILES
- CCCCCCCCCCCN=C(O)OCCCCCCCC
- Molecular Weight1
- 327.55
- 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 | 1.1901 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -774.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.808 | Crippen Calculated Property | |
| McVol | 310.080 | ml/mol | McGowan Calculated Property |
| Pc | 999.54 | kPa | Joback Calculated Property |
| Inp | [2427.00; 2427.00] |
|
|
| Inp | 2427.00 | NIST | |
| Inp | 2427.00 | NIST | |
| Tboil | 613.67 | K | Relay (1.0) Calculated Property |
| Tc | 809.98 | K | Relay (1.0) Calculated Property |
| Tfus | 337.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.196 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, monoamide, N-undecyl-, octyl 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
- Joback Method
- McGowan Method
- NIST Webbook
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