- InChI
- InChI=1S/C18H12F5NO3/c1-24(10-5-3-2-4-6-10)12(25)7-8-13(26)27-9-11-14(19)16(21)18(23)17(22)15(11)20/h2-8H,9H2,1H3/b8-7+
- InChI Key
- ZWVQSLFQAZDRNB-BQYQJAHWSA-N
- Formula
- C18H12F5NO3
- SMILES
-
CN(C(=O)C=CC(=O)OCc1c(F)c(F)c(
F)c(F)c1F)c1ccccc1 - Molecular Weight1
- 385.28
- 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° | -868.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1152.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 3.645 | Crippen Calculated Property | |
| McVol | 240.500 | ml/mol | McGowan Calculated Property |
| Pc | 1700.50 | kPa | Joback Calculated Property |
| Inp | [2382.00; 2382.00] |
|
|
| Inp | 2382.00 | NIST | |
| Inp | 2382.00 | NIST | |
| Tboil | 832.61 | K | Joback Calculated Property |
| Tc | 1036.84 | K | Joback Calculated Property |
| Tfus | 560.49 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.02; 742.95] | J/mol×K | [832.61; 1036.84] |
|
| Cp,gas | 688.02 | J/mol×K | 832.61 | Joback Calculated Property |
| Cp,gas | 699.20 | J/mol×K | 866.65 | Joback Calculated Property |
| Cp,gas | 709.51 | J/mol×K | 900.69 | Joback Calculated Property |
| Cp,gas | 719.00 | J/mol×K | 934.73 | Joback Calculated Property |
| Cp,gas | 727.71 | J/mol×K | 968.77 | Joback Calculated Property |
| Cp,gas | 735.68 | J/mol×K | 1002.80 | Joback Calculated Property |
| Cp,gas | 742.95 | J/mol×K | 1036.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester.
Sources
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