- InChI
- InChI=1S/C28H41F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-36-22(34)17-14-13-15-18-23(35)37-20-21-24(29)26(31)28(33)27(32)25(21)30/h2-20H2,1H3
- InChI Key
- KYGXLCJSSBDFOJ-UHFFFAOYSA-N
- Formula
- C28H41F5O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCC(=O)
OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 536.61
- 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 | 1.3308 | Relay (1.0) Calculated Property | |
| ΔfG° | -1192.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1778.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.620 | Crippen Calculated Property | |
| McVol | 405.350 | ml/mol | McGowan Calculated Property |
| Pc | 698.76 | kPa | Joback Calculated Property |
| Inp | [3192.00; 3192.00] |
|
|
| Inp | 3192.00 | NIST | |
| Inp | 3192.00 | NIST | |
| Tboil | 684.74 | K | Relay (1.0) Calculated Property |
| Tc | 849.80 | K | Relay (1.0) Calculated Property |
| Tfus | 331.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1399.67; 1475.77] | J/mol×K | [1040.55; 1305.98] |
|
| Cp,gas | 1399.67 | J/mol×K | 1040.55 | Joback Calculated Property |
| Cp,gas | 1418.18 | J/mol×K | 1084.79 | Joback Calculated Property |
| Cp,gas | 1434.27 | J/mol×K | 1129.03 | Joback Calculated Property |
| Cp,gas | 1448.01 | J/mol×K | 1173.27 | Joback Calculated Property |
| Cp,gas | 1459.46 | J/mol×K | 1217.51 | Joback Calculated Property |
| Cp,gas | 1468.70 | J/mol×K | 1261.74 | Joback Calculated Property |
| Cp,gas | 1475.77 | J/mol×K | 1305.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, pentafluorobenzyl tetradecyl ester.
Sources
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