- InChI
- InChI=1S/C15H18O3/c1-11(2)7-8-13(10-12(3)4)18-15(16)14-6-5-9-17-14/h5-6,9,12-13H,1,10H2,2-4H3
- InChI Key
- KYWKCTFRHIELIT-UHFFFAOYSA-N
- Formula
- C15H18O3
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1ccco
1 - Molecular Weight1
- 246.30
- 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 | 0.5505 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -203.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.431 | Crippen Calculated Property | |
| McVol | 203.160 | ml/mol | McGowan Calculated Property |
| Pc | 1916.59 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1633.00 | NIST | |
| Tboil | 542.18 | K | Relay (1.0) Calculated Property |
| Tc | 745.97 | K | Relay (1.0) Calculated Property |
| Tfus | 283.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.733 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furoic acid, 2,7-dimethyloct-7-en-5-yn-4-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
- McGowan Method
- NIST Webbook
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