- InChI
- InChI=1S/C13H13F5O3/c1-6(3-4-20-2)5-21-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h6H,3-5H2,1-2H3
- InChI Key
- TZATVKGFHODXTB-UHFFFAOYSA-N
- Formula
- C13H13F5O3
- SMILES
-
COCCC(C)COC(=O)c1c(F)c(F)c(F)c
(F)c1F - Molecular Weight1
- 312.23
- 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° | -1192.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1495.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 192.430 | ml/mol | McGowan Calculated Property |
| Pc | 1739.01 | kPa | Joback Calculated Property |
| Inp | 1509.00 | NIST | |
| Tboil | 643.04 | K | Joback Calculated Property |
| Tc | 815.54 | K | Joback Calculated Property |
| Tfus | 407.63 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.84; 571.94] | J/mol×K | [643.04; 815.54] | 
|
| Cp,gas | 507.84 | J/mol×K | 643.04 | Joback Calculated Property |
| Cp,gas | 519.86 | J/mol×K | 671.79 | Joback Calculated Property |
| Cp,gas | 531.35 | J/mol×K | 700.54 | Joback Calculated Property |
| Cp,gas | 542.32 | J/mol×K | 729.29 | Joback Calculated Property |
| Cp,gas | 552.74 | J/mol×K | 758.04 | Joback Calculated Property |
| Cp,gas | 562.62 | J/mol×K | 786.79 | Joback Calculated Property |
| Cp,gas | 571.94 | J/mol×K | 815.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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