- InChI
- InChI=1S/C11H9F5O2/c1-7(8-5-3-2-4-6-8)18-9(17)10(12,13)11(14,15)16/h2-7H,1H3
- InChI Key
- GQZAFSYCSMSOJI-UHFFFAOYSA-N
- Formula
- C11H9F5O2
- SMILES
-
CC(OC(=O)C(F)(F)C(F)(F)F)c1ccc
cc1 - Molecular Weight1
- 268.18
- CAS
- 55702-47-1
- Other Names
-
- 1-Phenylethanol, pentafluoropropionate
- 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° | -1050.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1281.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.488 | Crippen Calculated Property | |
| McVol | 158.380 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Inp | 1041.00 | NIST | |
| Tboil | 543.50 | K | Joback Calculated Property |
| Tc | 732.21 | K | Joback Calculated Property |
| Tfus | 305.10 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.54; 460.86] | J/mol×K | [543.50; 732.21] | 
|
| Cp,gas | 394.54 | J/mol×K | 543.50 | Joback Calculated Property |
| Cp,gas | 407.75 | J/mol×K | 574.95 | Joback Calculated Property |
| Cp,gas | 420.04 | J/mol×K | 606.40 | Joback Calculated Property |
| Cp,gas | 431.45 | J/mol×K | 637.85 | Joback Calculated Property |
| Cp,gas | 442.02 | J/mol×K | 669.30 | Joback Calculated Property |
| Cp,gas | 451.81 | J/mol×K | 700.76 | Joback Calculated Property |
| Cp,gas | 460.86 | J/mol×K | 732.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, pentafluoro-, 1-phenylethyl ester.
Sources
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