- InChI
- InChI=1S/C15H14O3/c1-11(15(16)17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
- InChI Key
- CQWOKJLMSWMOCJ-UHFFFAOYSA-N
- Formula
- C15H14O3
- SMILES
- CC(C(=O)O)c1ccc(Oc2ccccc2)cc1
- Molecular Weight1
- 242.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -82.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.667 | Crippen Calculated Property | |
| McVol | 188.000 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | 2067.00 | NIST | |
| Tboil | 768.97 | K | Joback Calculated Property |
| Tc | 993.24 | K | Joback Calculated Property |
| Tfus | 442.15 | K | Joback Calculated Property |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.65; 578.51] | J/mol×K | [768.97; 993.24] | 
|
| Cp,gas | 518.65 | J/mol×K | 768.97 | Joback Calculated Property |
| Cp,gas | 530.97 | J/mol×K | 806.35 | Joback Calculated Property |
| Cp,gas | 542.29 | J/mol×K | 843.73 | Joback Calculated Property |
| Cp,gas | 552.66 | J/mol×K | 881.10 | Joback Calculated Property |
| Cp,gas | 562.12 | J/mol×K | 918.48 | Joback Calculated Property |
| Cp,gas | 570.72 | J/mol×K | 955.86 | Joback Calculated Property |
| Cp,gas | 578.51 | J/mol×K | 993.24 | Joback Calculated Property |
| η | [0.0000251; 0.0010286] | Pa×s | [442.15; 768.97] |
|
| η | 0.0010286 | Pa×s | 442.15 | Joback Calculated Property |
| η | 0.0003944 | Pa×s | 496.62 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 551.09 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 605.56 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 660.03 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 714.50 | Joback Calculated Property |
| η | 0.0000251 | Pa×s | 768.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Phenoxyphenyl)propanoic acid.
Sources
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