- InChI
- InChI=1S/C14H10F5NO3/c1-2-5-20-8(21)3-4-9(22)23-6-7-10(15)12(17)14(19)13(18)11(7)16/h2-4H,1,5-6H2,(H,20,21)/b4-3+
- InChI Key
- RBYLQSLCYFPNTO-ONEGZZNKSA-N
- Formula
- C14H10F5NO3
- SMILES
-
C=CCNC(=O)C=CC(=O)OCc1c(F)c(F)
c(F)c(F)c1F - Molecular Weight1
- 335.23
- 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° | -948.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1194.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 2.284 | Crippen Calculated Property | |
| McVol | 203.600 | ml/mol | McGowan Calculated Property |
| Pc | 1865.94 | kPa | Joback Calculated Property |
| Inp | 2107.00 | NIST | |
| Tboil | 748.82 | K | Joback Calculated Property |
| Tc | 936.47 | K | Joback Calculated Property |
| Tfus | 507.42 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.30; 604.51] | J/mol×K | [748.82; 936.47] | 
|
| Cp,gas | 552.30 | J/mol×K | 748.82 | Joback Calculated Property |
| Cp,gas | 562.51 | J/mol×K | 780.10 | Joback Calculated Property |
| Cp,gas | 572.10 | J/mol×K | 811.37 | Joback Calculated Property |
| Cp,gas | 581.08 | J/mol×K | 842.65 | Joback Calculated Property |
| Cp,gas | 589.46 | J/mol×K | 873.92 | Joback Calculated Property |
| Cp,gas | 597.26 | J/mol×K | 905.20 | Joback Calculated Property |
| Cp,gas | 604.51 | J/mol×K | 936.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-allyl-, pentafluorobenzyl ester.
Sources
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