- InChI
- InChI=1S/C20H17F5O5/c1-10(2)29-12-5-3-4-6-13(12)30-15(27)8-7-14(26)28-9-11-16(21)18(23)20(25)19(24)17(11)22/h3-6,10H,7-9H2,1-2H3
- InChI Key
- WCTHNQBXUOLTIR-UHFFFAOYSA-N
- Formula
- C20H17F5O5
- SMILES
-
CC(C)Oc1ccccc1OC(=O)CCC(=O)OCc
1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 432.34
- 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° | -1264.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1659.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.89 | kJ/mol | Joback Calculated Property |
| log10WS | -6.74 | Crippen Calculated Property | |
| logPoct/wat | 4.598 | Crippen Calculated Property | |
| McVol | 274.740 | ml/mol | McGowan Calculated Property |
| Pc | 1363.65 | kPa | Joback Calculated Property |
| Inp | [2409.00; 2409.00] |
|
|
| Inp | 2409.00 | NIST | |
| Inp | 2409.00 | NIST | |
| Tboil | 911.15 | K | Joback Calculated Property |
| Tc | 1119.22 | K | Joback Calculated Property |
| Tfus | 597.62 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.97; 887.70] | J/mol×K | [911.15; 1119.22] |
|
| Cp,gas | 838.97 | J/mol×K | 911.15 | Joback Calculated Property |
| Cp,gas | 850.21 | J/mol×K | 945.83 | Joback Calculated Property |
| Cp,gas | 860.21 | J/mol×K | 980.51 | Joback Calculated Property |
| Cp,gas | 868.96 | J/mol×K | 1015.19 | Joback Calculated Property |
| Cp,gas | 876.47 | J/mol×K | 1049.87 | Joback Calculated Property |
| Cp,gas | 882.72 | J/mol×K | 1084.54 | Joback Calculated Property |
| Cp,gas | 887.70 | J/mol×K | 1119.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester.
Sources
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