- InChI
- InChI=1S/C17H19F5O4/c1-8(2)7-25-10(23)5-4-6-11(24)26-9(3)12-13(18)15(20)17(22)16(21)14(12)19/h8-9H,4-7H2,1-3H3
- InChI Key
- ICPUFMAYQKEPSY-UHFFFAOYSA-N
- Formula
- C17H19F5O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OC(C)c1c(F
)c(F)c(F)c(F)c1F - Molecular Weight1
- 382.32
- 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° | -1290.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1695.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.64 | Crippen Calculated Property | |
| logPoct/wat | 4.356 | Crippen Calculated Property | |
| McVol | 250.360 | ml/mol | McGowan Calculated Property |
| Pc | 1360.63 | kPa | Joback Calculated Property |
| Inp | [1883.00; 1883.00] |
|
|
| Inp | 1883.00 | NIST | |
| Inp | 1883.00 | NIST | |
| Tboil | 787.99 | K | Joback Calculated Property |
| Tc | 972.51 | K | Joback Calculated Property |
| Tfus | 487.64 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.23; 806.82] | J/mol×K | [787.99; 972.51] |
|
| Cp,gas | 740.23 | J/mol×K | 787.99 | Joback Calculated Property |
| Cp,gas | 753.44 | J/mol×K | 818.74 | Joback Calculated Property |
| Cp,gas | 765.82 | J/mol×K | 849.50 | Joback Calculated Property |
| Cp,gas | 777.34 | J/mol×K | 880.25 | Joback Calculated Property |
| Cp,gas | 788.02 | J/mol×K | 911.01 | Joback Calculated Property |
| Cp,gas | 797.84 | J/mol×K | 941.76 | Joback Calculated Property |
| Cp,gas | 806.82 | J/mol×K | 972.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 1-(pentafluorophenyl)ethyl ester.
Sources
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