- InChI
- InChI=1S/C17H19F5O4/c1-8(2)6-5-7-25-15(23)17(3,4)16(24)26-14-12(21)10(19)9(18)11(20)13(14)22/h8H,5-7H2,1-4H3
- InChI Key
- KRLAYCLHTKNNET-UHFFFAOYSA-N
- Formula
- C17H19F5O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c
(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° | -1284.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1699.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.56 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 4.293 | Crippen Calculated Property | |
| McVol | 250.360 | ml/mol | McGowan Calculated Property |
| Pc | 1371.74 | kPa | Joback Calculated Property |
| Inp | [1720.00; 1720.00] |
|
|
| Inp | 1720.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Tboil | 785.20 | K | Joback Calculated Property |
| Tc | 972.14 | K | Joback Calculated Property |
| Tfus | 505.06 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.46; 807.68] | J/mol×K | [785.20; 972.14] |
|
| Cp,gas | 741.46 | J/mol×K | 785.20 | Joback Calculated Property |
| Cp,gas | 754.58 | J/mol×K | 816.36 | Joback Calculated Property |
| Cp,gas | 766.86 | J/mol×K | 847.51 | Joback Calculated Property |
| Cp,gas | 778.29 | J/mol×K | 878.67 | Joback Calculated Property |
| Cp,gas | 788.90 | J/mol×K | 909.82 | Joback Calculated Property |
| Cp,gas | 798.69 | J/mol×K | 940.98 | Joback Calculated Property |
| Cp,gas | 807.68 | J/mol×K | 972.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl pentafluorophenyl ester.
Sources
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