- InChI
- InChI=1S/C13H20O3/c1-15-13(14)10-6-4-2-3-5-8-12-9-7-11-16-12/h7,9,11H,2-6,8,10H2,1H3
- InChI Key
- BEDHFJANVUDDFI-UHFFFAOYSA-N
- Formula
- C13H20O3
- SMILES
- COC(=O)CCCCCCCc1ccco1
- Molecular Weight1
- 224.30
- CAS
- 38199-50-7
- Other Names
-
- Octanoic acid, 8-(2-furyl), methyl ester
- 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 | 0.7142 | Relay (... Calculated Property | |
| ΔfG° | -173.82 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -538.44 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.96 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | -3.37 | Relay (... Calculated Property | |
| logPoct/wat | 3.336 | Crippen Calculated Property | |
| McVol | 187.880 | ml/mol | McGowan Calculated Property |
| Pc | 2080.25 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1619.00; 1629.00] |
|
|
| Inp | 1629.00 | NIST | |
| Inp | 1624.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1624.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Tboil | 556.61 | K | Relay (... Calculated Property |
| Tc | 745.16 | K | Relay (... Calculated Property |
| Tfus | 279.23 | K | Relay (... Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 8-(2-furyl)octanoate.
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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