- InChI
- InChI=1S/C22H29F5O4/c1-2-3-4-5-6-10-13-30-16(28)11-8-7-9-12-17(29)31-14-15-18(23)20(25)22(27)21(26)19(15)24/h2-14H2,1H3
- InChI Key
- BNFWYMNNBRRPKB-UHFFFAOYSA-N
- Formula
- C22H29F5O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCc1c(
F)c(F)c(F)c(F)c1F - Molecular Weight1
- 452.46
- 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° | -1243.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1788.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.38 | kJ/mol | Joback Calculated Property |
| log10WS | -8.01 | Crippen Calculated Property | |
| logPoct/wat | 6.279 | Crippen Calculated Property | |
| McVol | 320.810 | ml/mol | McGowan Calculated Property |
| Pc | 972.30 | kPa | Joback Calculated Property |
| Inp | [2596.00; 2596.00] |
|
|
| Inp | 2596.00 | NIST | |
| Inp | 2596.00 | NIST | |
| Tboil | 903.27 | K | Joback Calculated Property |
| Tc | 1106.93 | K | Joback Calculated Property |
| Tfus | 573.99 | K | Joback Calculated Property |
| Vc | 1.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.47; 1104.13] | J/mol×K | [903.27; 1106.93] |
|
| Cp,gas | 1030.47 | J/mol×K | 903.27 | Joback Calculated Property |
| Cp,gas | 1045.85 | J/mol×K | 937.21 | Joback Calculated Property |
| Cp,gas | 1059.97 | J/mol×K | 971.16 | Joback Calculated Property |
| Cp,gas | 1072.85 | J/mol×K | 1005.10 | Joback Calculated Property |
| Cp,gas | 1084.49 | J/mol×K | 1039.05 | Joback Calculated Property |
| Cp,gas | 1094.92 | J/mol×K | 1072.99 | Joback Calculated Property |
| Cp,gas | 1104.13 | J/mol×K | 1106.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, octyl pentafluorobenzyl ester.
Sources
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