- InChI
- InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
- InChI Key
- FKGUIBCHHSHJNQ-UHFFFAOYSA-N
- Formula
- C10H14O3
- SMILES
- CC(C)CC(=O)OCc1ccco1
- Molecular Weight1
- 182.22
- CAS
- 13678-60-9
- Other Names
-
- Furfuryl 3-methylbutanoate
- Furfuryl isovalerate
- 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 | 0.5480 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -479.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.369 | Crippen Calculated Property | |
| McVol | 145.610 | ml/mol | McGowan Calculated Property |
| Pc | 2483.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1222.00; 1228.00] |
|
|
| Inp | 1223.70 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Tboil | 466.47 | K | Relay (1.0) Calculated Property |
| Tc | 689.35 | K | Relay (1.0) Calculated Property |
| Tfus | 244.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.554 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2-[ethoxy-(3-methylbutoxy)methyl]furan.](data:image/png;base64,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)
Find more compounds similar to Butanoic acid, 3-methyl-, 2-furanylmethyl 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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