- InChI
- InChI=1S/C19H23F5O4/c1-2-3-7-10-27-13(25)8-5-4-6-9-14(26)28-11-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3
- InChI Key
- VPGLLYQRAMHHCZ-UHFFFAOYSA-N
- Formula
- C19H23F5O4
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)OCc1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 410.38
- 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 | 1.0044 | Relay (1.0) Calculated Property | |
| ΔfG° | -1268.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1612.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.109 | Crippen Calculated Property | |
| McVol | 278.540 | ml/mol | McGowan Calculated Property |
| Pc | 1173.63 | kPa | Joback Calculated Property |
| Inp | [2306.00; 2306.00] |
|
|
| Inp | 2306.00 | NIST | |
| Inp | 2306.00 | NIST | |
| Tboil | 608.55 | K | Relay (1.0) Calculated Property |
| Tc | 777.11 | K | Relay (1.0) Calculated Property |
| Tfus | 304.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.054 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.27; 922.84] | J/mol×K | [834.63; 1022.84] |
|
| Cp,gas | 853.27 | J/mol×K | 834.63 | Joback Calculated Property |
| Cp,gas | 867.25 | J/mol×K | 866.00 | Joback Calculated Property |
| Cp,gas | 880.27 | J/mol×K | 897.37 | Joback Calculated Property |
| Cp,gas | 892.34 | J/mol×K | 928.73 | Joback Calculated Property |
| Cp,gas | 903.45 | J/mol×K | 960.10 | Joback Calculated Property |
| Cp,gas | 913.62 | J/mol×K | 991.47 | Joback Calculated Property |
| Cp,gas | 922.84 | J/mol×K | 1022.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, pentafluorobenzyl pentyl ester.
Sources
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