- InChI
- InChI=1S/C20H17F5O4/c1-10(2)11-3-5-12(6-4-11)29-15(27)8-7-14(26)28-9-13-16(21)18(23)20(25)19(24)17(13)22/h3-6,10H,7-9H2,1-2H3
- InChI Key
- KUGCDOLBKKHYDL-UHFFFAOYSA-N
- Formula
- C20H17F5O4
- SMILES
-
CC(C)c1ccc(OC(=O)CCC(=O)OCc2c(
F)c(F)c(F)c(F)c2F)cc1 - Molecular Weight1
- 416.34
- 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° | -1159.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1527.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.48 | kJ/mol | Joback Calculated Property |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 4.934 | Crippen Calculated Property | |
| McVol | 268.870 | ml/mol | McGowan Calculated Property |
| Pc | 1380.93 | kPa | Joback Calculated Property |
| Inp | [2398.00; 2398.00] |
|
|
| Inp | 2398.00 | NIST | |
| Inp | 2398.00 | NIST | |
| Tboil | 888.73 | K | Joback Calculated Property |
| Tc | 1094.42 | K | Joback Calculated Property |
| Tfus | 575.39 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.51; 866.82] | J/mol×K | [888.73; 1094.42] |
|
| Cp,gas | 812.51 | J/mol×K | 888.73 | Joback Calculated Property |
| Cp,gas | 824.31 | J/mol×K | 923.01 | Joback Calculated Property |
| Cp,gas | 835.00 | J/mol×K | 957.29 | Joback Calculated Property |
| Cp,gas | 844.59 | J/mol×K | 991.57 | Joback Calculated Property |
| Cp,gas | 853.09 | J/mol×K | 1025.85 | Joback Calculated Property |
| Cp,gas | 860.49 | J/mol×K | 1060.13 | Joback Calculated Property |
| Cp,gas | 866.82 | J/mol×K | 1094.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-isopropylphenyl pentafluorobenzyl ester.
Sources
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