- InChI
- InChI=1S/C23H29F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-31-16(29)13-14-17(30)32-23-21(27)19(25)18(24)20(26)22(23)28/h13-14H,2-12,15H2,1H3/b14-13+
- InChI Key
- BZEZPFBVHXBGED-BUHFOSPRSA-N
- Formula
- C23H29F5O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)Oc1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 464.47
- 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° | -1154.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1691.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.56 | kJ/mol | Joback Calculated Property |
| log10WS | -8.44 | Crippen Calculated Property | |
| logPoct/wat | 6.698 | Crippen Calculated Property | |
| McVol | 330.600 | ml/mol | McGowan Calculated Property |
| Pc | 946.16 | kPa | Joback Calculated Property |
| Inp | [2522.00; 2522.00] |
|
|
| Inp | 2522.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Tboil | 930.31 | K | Joback Calculated Property |
| Tc | 1140.68 | K | Joback Calculated Property |
| Tfus | 580.18 | K | Joback Calculated Property |
| Vc | 1.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.86; 1136.38] | J/mol×K | [930.31; 1140.68] |
|
| Cp,gas | 1062.86 | J/mol×K | 930.31 | Joback Calculated Property |
| Cp,gas | 1078.14 | J/mol×K | 965.37 | Joback Calculated Property |
| Cp,gas | 1092.17 | J/mol×K | 1000.43 | Joback Calculated Property |
| Cp,gas | 1104.98 | J/mol×K | 1035.50 | Joback Calculated Property |
| Cp,gas | 1116.60 | J/mol×K | 1070.56 | Joback Calculated Property |
| Cp,gas | 1127.06 | J/mol×K | 1105.62 | Joback Calculated Property |
| Cp,gas | 1136.38 | J/mol×K | 1140.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentafluorophenyl tridecyl ester.
Sources
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