- InChI
- InChI=1S/C21H25F5O4/c1-2-3-4-5-6-7-8-9-10-13-29-14(27)11-12-15(28)30-21-19(25)17(23)16(22)18(24)20(21)26/h11-12H,2-10,13H2,1H3/b12-11+
- InChI Key
- FGACRZJSNKXPOP-VAWYXSNFSA-N
- Formula
- C21H25F5O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)Oc1c(
F)c(F)c(F)c(F)c1F - Molecular Weight1
- 436.41
- 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° | -1171.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1650.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.11 | kJ/mol | Joback Calculated Property |
| log10WS | -7.60 | Crippen Calculated Property | |
| logPoct/wat | 5.918 | Crippen Calculated Property | |
| McVol | 302.420 | ml/mol | McGowan Calculated Property |
| Pc | 1068.66 | kPa | Joback Calculated Property |
| Inp | [2229.00; 2229.00] |
|
|
| Inp | 2229.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Tboil | 884.55 | K | Joback Calculated Property |
| Tc | 1082.95 | K | Joback Calculated Property |
| Tfus | 557.64 | K | Joback Calculated Property |
| Vc | 1.222 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [943.40; 1013.86] | J/mol×K | [884.55; 1082.95] |
|
| Cp,gas | 943.40 | J/mol×K | 884.55 | Joback Calculated Property |
| Cp,gas | 957.71 | J/mol×K | 917.62 | Joback Calculated Property |
| Cp,gas | 970.96 | J/mol×K | 950.68 | Joback Calculated Property |
| Cp,gas | 983.18 | J/mol×K | 983.75 | Joback Calculated Property |
| Cp,gas | 994.40 | J/mol×K | 1016.81 | Joback Calculated Property |
| Cp,gas | 1004.61 | J/mol×K | 1049.88 | Joback Calculated Property |
| Cp,gas | 1013.86 | J/mol×K | 1082.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentafluorophenyl undecyl ester.
Sources
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