- InChI
- InChI=1S/C9H3F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H,(H,15,16)/b2-1+
- InChI Key
- IUUKDBLGVZISGW-OWOJBTEDSA-N
- Formula
- C9H3F5O2
- SMILES
- O=C(O)C=Cc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 238.11
- CAS
- 719-60-8
- Other Names
-
- Pentafluorocinnamic acid
- 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 | 0.7285 | Relay (1.0) Calculated Property | |
| ΔfG° | -1070.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1067.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.480 | Crippen Calculated Property | |
| McVol | 125.900 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 511.96 | K | Relay (1.0) Calculated Property |
| Tc | 700.51 | K | Relay (1.0) Calculated Property |
| Tfus | 416.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.12; 331.72] | J/mol×K | [603.46; 778.18] | 
|
| Cp,gas | 296.12 | J/mol×K | 603.46 | Joback Calculated Property |
| Cp,gas | 302.87 | J/mol×K | 632.58 | Joback Calculated Property |
| Cp,gas | 309.27 | J/mol×K | 661.70 | Joback Calculated Property |
| Cp,gas | 315.35 | J/mol×K | 690.82 | Joback Calculated Property |
| Cp,gas | 321.11 | J/mol×K | 719.94 | Joback Calculated Property |
| Cp,gas | 326.57 | J/mol×K | 749.06 | Joback Calculated Property |
| Cp,gas | 331.72 | J/mol×K | 778.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4,5,6-Pentafluorocinnamic acid.
Sources
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