- InChI
- InChI=1S/C24H33F5O4/c1-2-3-4-5-6-7-8-12-15-32-18(30)13-10-9-11-14-19(31)33-16-17-20(25)22(27)24(29)23(28)21(17)26/h2-16H2,1H3
- InChI Key
- XXWMGIPUCOJSRN-UHFFFAOYSA-N
- Formula
- C24H33F5O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)OCc1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 480.51
- 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 | 1.1870 | Relay (1.0) Calculated Property | |
| ΔfG° | -1226.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1704.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.060 | Crippen Calculated Property | |
| McVol | 348.990 | ml/mol | McGowan Calculated Property |
| Pc | 865.56 | kPa | Joback Calculated Property |
| Inp | [2792.00; 2792.00] |
|
|
| Inp | 2792.00 | NIST | |
| Inp | 2792.00 | NIST | |
| Tboil | 653.84 | K | Relay (1.0) Calculated Property |
| Tc | 819.84 | K | Relay (1.0) Calculated Property |
| Tfus | 320.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.323 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.76; 1227.32] | J/mol×K | [949.03; 1168.11] |
|
| Cp,gas | 1151.76 | J/mol×K | 949.03 | Joback Calculated Property |
| Cp,gas | 1168.12 | J/mol×K | 985.54 | Joback Calculated Property |
| Cp,gas | 1182.95 | J/mol×K | 1022.06 | Joback Calculated Property |
| Cp,gas | 1196.26 | J/mol×K | 1058.57 | Joback Calculated Property |
| Cp,gas | 1208.08 | J/mol×K | 1095.08 | Joback Calculated Property |
| Cp,gas | 1218.42 | J/mol×K | 1131.60 | Joback Calculated Property |
| Cp,gas | 1227.32 | J/mol×K | 1168.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl pentafluorobenzyl ester.
Sources
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