- InChI
- InChI=1S/C16H17F5O4/c1-2-3-7-24-10(22)5-4-6-11(23)25-8-9-12(17)14(19)16(21)15(20)13(9)18/h2-8H2,1H3
- InChI Key
- SZBPFHILOTYCCK-UHFFFAOYSA-N
- Formula
- C16H17F5O4
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1c(F)c(F)
c(F)c(F)c1F - Molecular Weight1
- 368.30
- 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 | 0.8890 | Relay (1.0) Calculated Property | |
| ΔfG° | -1293.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1554.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.939 | Crippen Calculated Property | |
| McVol | 236.270 | ml/mol | McGowan Calculated Property |
| Pc | 1444.64 | kPa | Joback Calculated Property |
| Inp | [1963.00; 1963.00] |
|
|
| Inp | 1963.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Tboil | 582.87 | K | Relay (1.0) Calculated Property |
| Tc | 748.12 | K | Relay (1.0) Calculated Property |
| Tfus | 290.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.46; 747.57] | J/mol×K | [765.99; 946.20] |
|
| Cp,gas | 683.46 | J/mol×K | 765.99 | Joback Calculated Property |
| Cp,gas | 696.02 | J/mol×K | 796.02 | Joback Calculated Property |
| Cp,gas | 707.82 | J/mol×K | 826.06 | Joback Calculated Property |
| Cp,gas | 718.89 | J/mol×K | 856.09 | Joback Calculated Property |
| Cp,gas | 729.20 | J/mol×K | 886.13 | Joback Calculated Property |
| Cp,gas | 738.76 | J/mol×K | 916.16 | Joback Calculated Property |
| Cp,gas | 747.57 | J/mol×K | 946.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl pentafluorobenzyl ester.
Sources
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