- InChI
- InChI=1S/C14H7F5O2/c1-6-2-4-7(5-3-6)14(20)21-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3
- InChI Key
- VIUKYPVYPARUMI-UHFFFAOYSA-N
- Formula
- C14H7F5O2
- SMILES
-
Cc1ccc(C(=O)Oc2c(F)c(F)c(F)c(F
)c2F)cc1 - Molecular Weight1
- 302.20
- 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° | -973.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1153.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.69 | Crippen Calculated Property | |
| logPoct/wat | 3.910 | Crippen Calculated Property | |
| McVol | 176.890 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Inp | 1627.00 | NIST | |
| Tboil | 675.60 | K | Joback Calculated Property |
| Tc | 874.76 | K | Joback Calculated Property |
| Tfus | 450.61 | K | Joback Calculated Property |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.69; 505.88] | J/mol×K | [675.60; 874.76] | 
|
| Cp,gas | 449.69 | J/mol×K | 675.60 | Joback Calculated Property |
| Cp,gas | 460.72 | J/mol×K | 708.79 | Joback Calculated Property |
| Cp,gas | 471.08 | J/mol×K | 741.99 | Joback Calculated Property |
| Cp,gas | 480.77 | J/mol×K | 775.18 | Joback Calculated Property |
| Cp,gas | 489.80 | J/mol×K | 808.37 | Joback Calculated Property |
| Cp,gas | 498.17 | J/mol×K | 841.57 | Joback Calculated Property |
| Cp,gas | 505.88 | J/mol×K | 874.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylbenzoic acid, pentafluorophenyl ester.
Sources
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