- InChI
- InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
- InChI Key
- QKPSYARWSBJEDY-UHFFFAOYSA-N
- Formula
- C13H12O3
- SMILES
- O=C(OCCc1ccccc1)c1ccco1
- Molecular Weight1
- 216.23
- CAS
- 7149-32-8
- Other Names
-
- 2-Furoic acid, phenethyl ester
- AI3-36016
- Phenethyl 2-furoate
- 2-Furanecarboxylic acid, 2-phenylethyl ester
- 2-Phenylethyl 2-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).
- 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 | 0.6180 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -287.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.679 | Crippen Calculated Property | |
| McVol | 164.120 | ml/mol | McGowan Calculated Property |
| Pc | 2651.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1760.00 | NIST | |
| Tboil | 591.77 | K | Relay (1.0) Calculated Property |
| Tc | 816.30 | K | Relay (1.0) Calculated Property |
| Tfus | 271.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furancarboxylic acid, 2-phenylethyl 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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