- InChI
- InChI=1S/C20H23F5O4/c1-2-3-4-5-6-7-8-9-12-28-13(26)10-11-14(27)29-20-18(24)16(22)15(21)17(23)19(20)25/h10-11H,2-9,12H2,1H3/b11-10+
- InChI Key
- XAAGOJQKXUUGDQ-ZHACJKMWSA-N
- Formula
- C20H23F5O4
- SMILES
-
CCCCCCCCCCOC(=O)C=CC(=O)Oc1c(F
)c(F)c(F)c(F)c1F - Molecular Weight1
- 422.39
- 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° | -1179.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1629.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.89 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 5.528 | Crippen Calculated Property | |
| McVol | 288.330 | ml/mol | McGowan Calculated Property |
| Pc | 1139.03 | kPa | Joback Calculated Property |
| Inp | [2229.00; 2229.00] |
|
|
| Inp | 2229.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Tboil | 861.67 | K | Joback Calculated Property |
| Tc | 1055.53 | K | Joback Calculated Property |
| Tfus | 546.37 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.71; 953.51] | J/mol×K | [861.67; 1055.53] |
|
| Cp,gas | 884.71 | J/mol×K | 861.67 | Joback Calculated Property |
| Cp,gas | 898.54 | J/mol×K | 893.98 | Joback Calculated Property |
| Cp,gas | 911.41 | J/mol×K | 926.29 | Joback Calculated Property |
| Cp,gas | 923.33 | J/mol×K | 958.60 | Joback Calculated Property |
| Cp,gas | 934.31 | J/mol×K | 990.91 | Joback Calculated Property |
| Cp,gas | 944.36 | J/mol×K | 1023.22 | Joback Calculated Property |
| Cp,gas | 953.51 | J/mol×K | 1055.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, decyl pentafluorophenyl ester.
Sources
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