- InChI
- InChI=1S/C15H12F2O2/c16-12-8-13(17)10-14(9-12)19-15(18)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
- InChI Key
- ULUXOHUBNMTRAG-UHFFFAOYSA-N
- Formula
- C15H12F2O2
- SMILES
- O=C(CCc1ccccc1)Oc1cc(F)cc(F)c1
- Molecular Weight1
- 262.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -342.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.48 | Crippen Calculated Property | |
| logPoct/wat | 3.503 | Crippen Calculated Property | |
| McVol | 185.670 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1726.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 680.75 | K | Joback Calculated Property |
| Tc | 899.48 | K | Joback Calculated Property |
| Tfus | 410.03 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.84; 550.24] | J/mol×K | [680.75; 899.48] |
|
| Cp,gas | 480.84 | J/mol×K | 680.75 | Joback Calculated Property |
| Cp,gas | 494.78 | J/mol×K | 717.20 | Joback Calculated Property |
| Cp,gas | 507.73 | J/mol×K | 753.66 | Joback Calculated Property |
| Cp,gas | 519.72 | J/mol×K | 790.11 | Joback Calculated Property |
| Cp,gas | 530.77 | J/mol×K | 826.57 | Joback Calculated Property |
| Cp,gas | 540.94 | J/mol×K | 863.02 | Joback Calculated Property |
| Cp,gas | 550.24 | J/mol×K | 899.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid. 3,5-difluorophenyl ester.
Sources
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