- InChI
- InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
- InChI Key
- OQMUCISCOICEGC-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CCCCCCCC(=O)c1ccco1
- Molecular Weight1
- 194.27
- CAS
- 5456-77-9
- Other Names
-
- 2-Octanoylfuran
- 1-(2-Furyl)-1-octanone
- Furan, 2-octanoyl
- 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.
- I : 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 | 0.6404 | Relay (... Calculated Property | |
| ΔfG° | -87.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -339.57 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 69.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -4.18 | Relay (... Calculated Property | |
| logPoct/wat | 3.823 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2204.81 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1487.00 | NIST | |
| I | 2062.00 | NIST | |
| Tboil | 535.02 | K | Relay (... Calculated Property |
| Tc | 727.68 | K | Relay (... Calculated Property |
| Tfus | 297.45 | K | Relay (... Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octanone, 1-(2-furanyl)-.
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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