- InChI
- InChI=1S/C18H21F5O4/c1-2-3-9-26-12(24)7-5-4-6-8-13(25)27-10-11-14(19)16(21)18(23)17(22)15(11)20/h2-10H2,1H3
- InChI Key
- NOLZWICJZPLSTK-UHFFFAOYSA-N
- Formula
- C18H21F5O4
- SMILES
-
CCCCOC(=O)CCCCCC(=O)OCc1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 396.35
- 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° | -1276.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1705.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.34 | Crippen Calculated Property | |
| logPoct/wat | 4.719 | Crippen Calculated Property | |
| McVol | 264.450 | ml/mol | McGowan Calculated Property |
| Pc | 1254.81 | kPa | Joback Calculated Property |
| Inp | [2169.00; 2169.00] |
|
|
| Inp | 2169.00 | NIST | |
| Inp | 2169.00 | NIST | |
| Tboil | 811.75 | K | Joback Calculated Property |
| Tc | 996.55 | K | Joback Calculated Property |
| Tfus | 528.91 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [795.74; 863.66] | J/mol×K | [811.75; 996.55] |
|
| Cp,gas | 795.74 | J/mol×K | 811.75 | Joback Calculated Property |
| Cp,gas | 809.26 | J/mol×K | 842.55 | Joback Calculated Property |
| Cp,gas | 821.89 | J/mol×K | 873.35 | Joback Calculated Property |
| Cp,gas | 833.65 | J/mol×K | 904.15 | Joback Calculated Property |
| Cp,gas | 844.53 | J/mol×K | 934.95 | Joback Calculated Property |
| Cp,gas | 854.53 | J/mol×K | 965.75 | Joback Calculated Property |
| Cp,gas | 863.66 | J/mol×K | 996.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, butyl pentafluorobenzyl ester.
Sources
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