- InChI
- InChI=1S/C9H5F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H2,(H,15,16)
- InChI Key
- KBAMYOFXGBJADC-UHFFFAOYSA-N
- Formula
- C9H5F5O2
- SMILES
- O=C(O)CCc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 240.13
- CAS
- 2002-94-0
- ω : Acentric Factor.
- 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).
- 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 | 0.7749 | Relay (1.0) Calculated Property | |
| ΔfG° | -1150.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1145.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.399 | Crippen Calculated Property | |
| McVol | 130.200 | ml/mol | McGowan Calculated Property |
| Pc | 2781.78 | kPa | Joback Calculated Property |
| Tboil | 507.73 | K | Relay (1.0) Calculated Property |
| Tc | 707.95 | K | Relay (1.0) Calculated Property |
| Tfus | 378.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.22; 356.75] | J/mol×K | [599.30; 768.13] | 
|
| Cp,gas | 317.22 | J/mol×K | 599.30 | Joback Calculated Property |
| Cp,gas | 324.61 | J/mol×K | 627.44 | Joback Calculated Property |
| Cp,gas | 331.69 | J/mol×K | 655.58 | Joback Calculated Property |
| Cp,gas | 338.43 | J/mol×K | 683.71 | Joback Calculated Property |
| Cp,gas | 344.86 | J/mol×K | 711.85 | Joback Calculated Property |
| Cp,gas | 350.96 | J/mol×K | 739.99 | Joback Calculated Property |
| Cp,gas | 356.75 | J/mol×K | 768.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentafluorophenylpropionic acid.
Sources
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