- InChI
- InChI=1S/C23H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-15-31-16(29)13-12-14-17(30)32-23-21(27)19(25)18(24)20(26)22(23)28/h2-15H2,1H3
- InChI Key
- BFOULZBONVQVDH-UHFFFAOYSA-N
- Formula
- C23H31F5O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCC(=O)Oc1c
(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 466.48
- 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 | 1.1696 | Relay (1.0) Calculated Property | |
| ΔfG° | -1234.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1664.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.922 | Crippen Calculated Property | |
| McVol | 334.900 | ml/mol | McGowan Calculated Property |
| Pc | 916.61 | kPa | Joback Calculated Property |
| Inp | [2602.00; 2602.00] |
|
|
| Inp | 2602.00 | NIST | |
| Inp | 2602.00 | NIST | |
| Tboil | 635.01 | K | Relay (1.0) Calculated Property |
| Tc | 813.81 | K | Relay (1.0) Calculated Property |
| Tfus | 311.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.273 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1090.84; 1165.55] | J/mol×K | [926.15; 1136.96] |
|
| Cp,gas | 1090.84 | J/mol×K | 926.15 | Joback Calculated Property |
| Cp,gas | 1106.71 | J/mol×K | 961.28 | Joback Calculated Property |
| Cp,gas | 1121.19 | J/mol×K | 996.42 | Joback Calculated Property |
| Cp,gas | 1134.29 | J/mol×K | 1031.55 | Joback Calculated Property |
| Cp,gas | 1146.04 | J/mol×K | 1066.69 | Joback Calculated Property |
| Cp,gas | 1156.46 | J/mol×K | 1101.82 | Joback Calculated Property |
| Cp,gas | 1165.55 | J/mol×K | 1136.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodecyl pentafluorophenyl ester.
Sources
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