- InChI
- InChI=1S/C12H11F5O3/c13-11(14,12(15,16)17)10(18)20-8-4-7-19-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChI Key
- VCSXYEUPLBDCRJ-UHFFFAOYSA-N
- Formula
- C12H11F5O3
- SMILES
-
O=C(OCCCOc1ccccc1)C(F)(F)C(F)(
F)F - Molecular Weight1
- 298.21
- 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° | -1144.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1429.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.196 | Crippen Calculated Property | |
| McVol | 178.340 | ml/mol | McGowan Calculated Property |
| Pc | 2071.76 | kPa | Joback Calculated Property |
| Inp | 1344.00 | NIST | |
| Tboil | 589.24 | K | Joback Calculated Property |
| Tc | 771.35 | K | Joback Calculated Property |
| Tfus | 353.60 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.06; 533.52] | J/mol×K | [589.24; 771.35] | 
|
| Cp,gas | 467.06 | J/mol×K | 589.24 | Joback Calculated Property |
| Cp,gas | 480.11 | J/mol×K | 619.59 | Joback Calculated Property |
| Cp,gas | 492.32 | J/mol×K | 649.94 | Joback Calculated Property |
| Cp,gas | 503.74 | J/mol×K | 680.30 | Joback Calculated Property |
| Cp,gas | 514.38 | J/mol×K | 710.65 | Joback Calculated Property |
| Cp,gas | 524.30 | J/mol×K | 741.00 | Joback Calculated Property |
| Cp,gas | 533.52 | J/mol×K | 771.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenoxypropyl 2,2,3,3,3-pentafluoropropanoate.
Sources
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