- InChI
- InChI=1S/C15H27NO2/c1-3-5-7-8-9-10-11-12-13-16-15(17)18-14-6-4-2/h2H,3,5-14H2,1H3,(H,16,17)
- InChI Key
- PUNUFEULMONCLE-UHFFFAOYSA-N
- Formula
- C15H27NO2
- SMILES
- C#CCCOC(O)=NCCCCCCCCCC
- Molecular Weight1
- 253.38
- 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 | 0.9194 | Relay (... Calculated Property | |
| ΔfG° | 97.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -409.25 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.80 | kJ/mol | Relay (... Calculated Property |
| IE | 9.47 | eV | Relay (... Calculated Property |
| log10WS | -4.75 | Relay (... Calculated Property | |
| logPoct/wat | 4.081 | Crippen Calculated Property | |
| McVol | 231.030 | ml/mol | McGowan Calculated Property |
| Pc | 1556.12 | kPa | Joback Calculated Property |
| Inp | [2134.00; 2134.00] |
|
|
| Inp | 2134.00 | NIST | |
| Inp | 2134.00 | NIST | |
| Tboil | 600.83 | K | Relay (... Calculated Property |
| Tc | 772.96 | K | Relay (... Calculated Property |
| Tfus | 329.66 | K | Relay (... Calculated Property |
| Vc | 0.837 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, monoamide, N-decyl-, but-3-yn-1-yl 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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