- InChI
- InChI=1S/C11H12O3/c1-3-6-9(4-2)14-11(12)10-7-5-8-13-10/h5,7-9H,4H2,1-2H3
- InChI Key
- LZUDSPTZAZICSK-UHFFFAOYSA-N
- Formula
- C11H12O3
- SMILES
- CC#CC(CC)OC(=O)c1ccco1
- Molecular Weight1
- 192.21
- 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 | 0.4791 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -230.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.238 | Crippen Calculated Property | |
| McVol | 151.100 | ml/mol | McGowan Calculated Property |
| Pc | 2533.13 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1397.00; 1397.00] |
|
|
| Inp | 1397.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Tboil | 513.69 | K | Relay (1.0) Calculated Property |
| Tc | 713.51 | K | Relay (1.0) Calculated Property |
| Tfus | 286.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furoic acid, hex-4-yn-3-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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