- InChI
- InChI=1S/C19H21F5O4/c1-2-3-4-5-6-7-8-11-27-12(25)9-10-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h9-10H,2-8,11H2,1H3/b10-9+
- InChI Key
- TXNAWYNXEJXVAW-MDZDMXLPSA-N
- Formula
- C19H21F5O4
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)Oc1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 408.36
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0027 | Relay (1.0) Calculated Property | |
| ΔfG° | -1188.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1492.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.138 | Crippen Calculated Property | |
| McVol | 274.240 | ml/mol | McGowan Calculated Property |
| Pc | 1216.59 | kPa | Joback Calculated Property |
| Inp | [2140.00; 2140.00] |
|
|
| Inp | 2140.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Tboil | 587.80 | K | Relay (1.0) Calculated Property |
| Tc | 777.73 | K | Relay (1.0) Calculated Property |
| Tfus | 309.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.012 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.79; 893.85] | J/mol×K | [838.79; 1028.98] |
|
| Cp,gas | 826.79 | J/mol×K | 838.79 | Joback Calculated Property |
| Cp,gas | 840.16 | J/mol×K | 870.49 | Joback Calculated Property |
| Cp,gas | 852.65 | J/mol×K | 902.19 | Joback Calculated Property |
| Cp,gas | 864.24 | J/mol×K | 933.89 | Joback Calculated Property |
| Cp,gas | 874.97 | J/mol×K | 965.58 | Joback Calculated Property |
| Cp,gas | 884.83 | J/mol×K | 997.28 | Joback Calculated Property |
| Cp,gas | 893.85 | J/mol×K | 1028.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, nonyl pentafluorophenyl ester.
Sources
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