- InChI
- InChI=1S/C15H23F3O4/c1-4-5-6-7-8-11(2)21-13(19)9-10-14(20)22-12(3)15(16,17)18/h9-12H,4-8H2,1-3H3/b10-9+
- InChI Key
- VROVHAKBTRVJAG-MDZDMXLPSA-N
- Formula
- C15H23F3O4
- SMILES
-
CCCCCCC(C)OC(=O)C=CC(=O)OC(C)C
(F)(F)F - Molecular Weight1
- 324.34
- 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° | -898.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1332.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 3.939 | Crippen Calculated Property | |
| McVol | 238.100 | ml/mol | McGowan Calculated Property |
| Pc | 1463.49 | kPa | Joback Calculated Property |
| Inp | [1600.00; 1600.00] |
|
|
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Tboil | 693.04 | K | Joback Calculated Property |
| Tc | 868.58 | K | Joback Calculated Property |
| Tfus | 372.24 | K | Joback Calculated Property |
| Vc | 0.934 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [681.61; 759.26] | J/mol×K | [693.04; 868.58] |
|
| Cp,gas | 681.61 | J/mol×K | 693.04 | Joback Calculated Property |
| Cp,gas | 696.46 | J/mol×K | 722.30 | Joback Calculated Property |
| Cp,gas | 710.51 | J/mol×K | 751.55 | Joback Calculated Property |
| Cp,gas | 723.79 | J/mol×K | 780.81 | Joback Calculated Property |
| Cp,gas | 736.32 | J/mol×K | 810.07 | Joback Calculated Property |
| Cp,gas | 748.14 | J/mol×K | 839.32 | Joback Calculated Property |
| Cp,gas | 759.26 | J/mol×K | 868.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-octyl 1,1,1-trifluoroprop-2-yl ester.
Sources
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