- InChI
- InChI=1S/C16H20O3/c1-5-7-13(4)14(10-9-12(2)3)19-16(17)15-8-6-11-18-15/h6,8,11,13-14H,2,5,7H2,1,3-4H3
- InChI Key
- VFCORKFAUYEVFH-UHFFFAOYSA-N
- Formula
- C16H20O3
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccco1)C(C)C
CC - Molecular Weight1
- 260.33
- 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 | 0.5744 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -215.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.821 | Crippen Calculated Property | |
| McVol | 217.250 | ml/mol | McGowan Calculated Property |
| Pc | 1848.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1714.00; 1714.00] |
|
|
| Inp | 1714.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Tboil | 559.72 | K | Relay (1.0) Calculated Property |
| Tc | 758.57 | K | Relay (1.0) Calculated Property |
| Tfus | 281.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furoic acid, 2,6-dimethylnon-1-en-3-yn-5-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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