- InChI
- InChI=1S/C16H27NO2/c1-3-5-7-8-9-13-17(12-6-4-2)16(18)15-11-10-14-19-15/h10-11,14H,3-9,12-13H2,1-2H3
- InChI Key
- KXXUXKHVAPJXKK-UHFFFAOYSA-N
- Formula
- C16H27NO2
- SMILES
- CCCCCCCN(CCCC)C(=O)c1ccco1
- Molecular Weight1
- 265.39
- 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 | 0.8040 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -395.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.492 | Crippen Calculated Property | |
| McVol | 234.260 | ml/mol | McGowan Calculated Property |
| Pc | 1585.39 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2522.00; 2522.00] |
|
|
| Inp | 2522.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Tboil | 609.79 | K | Relay (1.0) Calculated Property |
| Tc | 791.75 | K | Relay (1.0) Calculated Property |
| Tfus | 278.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Furan-2-carboxamide, N-butyl-N-heptyl-.
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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