- InChI
- InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3
- InChI Key
- KMLFVAGUWNPADU-UHFFFAOYSA-N
- Formula
- C11H16O3
- SMILES
- CCCCCCOC(=O)c1ccco1
- Molecular Weight1
- 196.24
- CAS
- 39251-86-0
- Other Names
-
- Hexyl 2-furoate
- Hexyl furoate
- 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 | 0.6693 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -492.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.017 | Crippen Calculated Property | |
| McVol | 159.700 | ml/mol | McGowan Calculated Property |
| Pc | 2296.03 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1998.00; 1998.00] |
|
|
| I | 1998.00 | NIST | |
| I | 1998.00 | NIST | |
| Tboil | 535.56 | K | Relay (1.0) Calculated Property |
| Tc | 714.49 | K | Relay (1.0) Calculated Property |
| Tfus | 246.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furancarboxylic acid, hexyl 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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