- InChI
- InChI=1S/C19H25F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-26-19(25)13-14(20)16(22)18(24)17(23)15(13)21/h2-12H2,1H3
- InChI Key
- LOVOYRLAEIBBPN-UHFFFAOYSA-N
- Formula
- C19H25F5O2
- SMILES
-
CCCCCCCCCCCCOC(=O)c1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 380.39
- Other Names
-
- dodecyl pentafluorobenzoate
- 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.
- I : 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 | 0.9735 | Relay (... Calculated Property | |
| ΔfG° | -1034.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1285.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 55.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.01 | kJ/mol | Relay (... Calculated Property |
| IE | 9.55 | eV | Relay (... Calculated Property |
| log10WS | -8.34 | Relay (... Calculated Property | |
| logPoct/wat | 6.460 | Crippen Calculated Property | |
| McVol | 271.100 | ml/mol | McGowan Calculated Property |
| Pc | 1137.50 | kPa | Joback Calculated Property |
| Inp | 2005.00 | NIST | |
| I | 2293.00 | NIST | |
| Tboil | 588.93 | K | Relay (... Calculated Property |
| Tc | 769.14 | K | Relay (... Calculated Property |
| Tfus | 289.89 | K | Relay (... Calculated Property |
| Vc | 1.040 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.82; 885.14] | J/mol×K | [758.34; 933.16] | 
|
| Cp,gas | 804.82 | J/mol×K | 758.34 | Joback Calculated Property |
| Cp,gas | 820.16 | J/mol×K | 787.48 | Joback Calculated Property |
| Cp,gas | 834.70 | J/mol×K | 816.61 | Joback Calculated Property |
| Cp,gas | 848.46 | J/mol×K | 845.75 | Joback Calculated Property |
| Cp,gas | 861.44 | J/mol×K | 874.89 | Joback Calculated Property |
| Cp,gas | 873.66 | J/mol×K | 904.02 | Joback Calculated Property |
| Cp,gas | 885.14 | J/mol×K | 933.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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