- InChI
- InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-
- InChI Key
- VMDXHYHOJPKFEK-RZWYOFBOSA-N
- Formula
- C15H20O
- SMILES
- CC1=CCc2c(C)coc2CC(C)=CCC1
- Molecular Weight1
- 216.32
- CAS
- 19912-61-9
- Other Names
-
- Furanoelemene (furanodiene)
- 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).
- 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 | 0.3629 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -12.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.359 | Crippen Calculated Property | |
| McVol | 189.160 | ml/mol | McGowan Calculated Property |
| Pc | 2240.73 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1886.00; 1887.00] |
|
|
| I | 1886.00 | NIST | |
| I | 1887.00 | NIST | |
| I | 1886.00 | NIST | |
| Tboil | 583.43 | K | Relay (1.0) Calculated Property |
| Tc | 777.59 | K | Relay (1.0) Calculated Property |
| Tfus | 294.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Furanodiene.
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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