- InChI
- InChI=1S/C19H23F5O4/c1-3-4-5-7-11(2)28-14(26)9-6-8-13(25)27-10-12-15(20)17(22)19(24)18(23)16(12)21/h11H,3-10H2,1-2H3
- InChI Key
- LZFSPGCSTJFHAG-UHFFFAOYSA-N
- Formula
- C19H23F5O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OCc1c(F
)c(F)c(F)c(F)c1F - Molecular Weight1
- 410.38
- 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° | -1270.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1731.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.31 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 5.108 | Crippen Calculated Property | |
| McVol | 278.540 | ml/mol | McGowan Calculated Property |
| Pc | 1180.09 | kPa | Joback Calculated Property |
| Inp | [2089.00; 2089.00] |
|
|
| Inp | 2089.00 | NIST | |
| Inp | 2089.00 | NIST | |
| Tboil | 834.19 | K | Joback Calculated Property |
| Tc | 1022.89 | K | Joback Calculated Property |
| Tfus | 525.18 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.81; 923.35] | J/mol×K | [834.19; 1022.89] |
|
| Cp,gas | 853.81 | J/mol×K | 834.19 | Joback Calculated Property |
| Cp,gas | 867.81 | J/mol×K | 865.64 | Joback Calculated Property |
| Cp,gas | 880.85 | J/mol×K | 897.09 | Joback Calculated Property |
| Cp,gas | 892.92 | J/mol×K | 928.54 | Joback Calculated Property |
| Cp,gas | 904.02 | J/mol×K | 959.99 | Joback Calculated Property |
| Cp,gas | 914.16 | J/mol×K | 991.44 | Joback Calculated Property |
| Cp,gas | 923.35 | J/mol×K | 1022.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl pentafluorobenzyl ester.
Sources
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