- InChI
- InChI=1S/C12H25NO2/c1-3-5-6-7-8-9-11-15-12(14)13-10-4-2/h3-11H2,1-2H3,(H,13,14)
- InChI Key
- SOEWDVTWPNADPE-UHFFFAOYSA-N
- Formula
- C12H25NO2
- SMILES
- CCCCCCCCOC(O)=NCCC
- Molecular Weight1
- 215.33
- 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 | 0.9101 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -608.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.688 | Crippen Calculated Property | |
| McVol | 197.360 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | [1628.00; 1628.00] |
|
|
| Inp | 1628.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Tboil | 552.51 | K | Relay (1.0) Calculated Property |
| Tc | 730.10 | K | Relay (1.0) Calculated Property |
| Tfus | 292.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, monoamide, N-propyl-, 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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