- InChI
- InChI=1S/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
- InChI Key
- LZHMNCJMXQKSBY-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- COc1ccc(CCCC([O])=O)cc1
- Molecular Weight1
- 194.23
- CAS
- 29644-99-3
- Other Names
-
- 2-(p-Methoxyphenyl)butyric acid
- 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).
- 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 | 0.7099 | Relay (1.0) Calculated Property | |
| ΔfG° | -221.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -473.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.975 | Crippen Calculated Property | |
| McVol | 153.250 | ml/mol | McGowan Calculated Property |
| Pc | 2640.02 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 579.94 | K | Relay (1.0) Calculated Property |
| Tc | 766.07 | K | Relay (1.0) Calculated Property |
| Tfus | 295.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-(p-methoxyphenyl)-.
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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