- InChI
- InChI=1S/C16H15F5O4/c1-8(2)4-3-7-24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h5-6,8H,3-4,7H2,1-2H3/b6-5+
- InChI Key
- ZUWNWMCKVJOIRL-AATRIKPKSA-N
- Formula
- C16H15F5O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)Oc1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 366.28
- 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 | 0.8439 | Relay (1.0) Calculated Property | |
| ΔfG° | -1216.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1453.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.823 | Crippen Calculated Property | |
| McVol | 231.970 | ml/mol | McGowan Calculated Property |
| Pc | 1512.85 | kPa | Joback Calculated Property |
| Inp | [1820.00; 1820.00] |
|
|
| Inp | 1820.00 | NIST | |
| Inp | 1820.00 | NIST | |
| Tboil | 553.43 | K | Relay (1.0) Calculated Property |
| Tc | 746.53 | K | Relay (1.0) Calculated Property |
| Tfus | 303.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.99; 720.43] | J/mol×K | [769.71; 955.11] |
|
| Cp,gas | 658.99 | J/mol×K | 769.71 | Joback Calculated Property |
| Cp,gas | 671.06 | J/mol×K | 800.61 | Joback Calculated Property |
| Cp,gas | 682.39 | J/mol×K | 831.51 | Joback Calculated Property |
| Cp,gas | 692.99 | J/mol×K | 862.41 | Joback Calculated Property |
| Cp,gas | 702.85 | J/mol×K | 893.31 | Joback Calculated Property |
| Cp,gas | 712.00 | J/mol×K | 924.21 | Joback Calculated Property |
| Cp,gas | 720.43 | J/mol×K | 955.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl pentafluorophenyl ester.
Sources
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