- InChI
- InChI=1S/C29H59NO2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-30-29(31)32-28-26-24-22-12-10-8-6-4-2/h3-28H2,1-2H3,(H,30,31)
- InChI Key
- UDYZYLPXUQIYGL-UHFFFAOYSA-N
- Formula
- C29H59NO2
- SMILES
-
CCCCCCCCCCCCCCCCCCN=C(O)OCCCCC
CCCCC - Molecular Weight1
- 453.78
- 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 | 1.5056 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -961.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 160.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.319 | Crippen Calculated Property | |
| McVol | 436.890 | ml/mol | McGowan Calculated Property |
| Pc | 616.65 | kPa | Joback Calculated Property |
| Inp | [1610.00; 1610.00] |
|
|
| Inp | 1610.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Tboil | 672.40 | K | Relay (1.0) Calculated Property |
| Tc | 871.39 | K | Relay (1.0) Calculated Property |
| Tfus | 358.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.696 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, monoamide, N-octadecyl-, decyl 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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