- InChI
- InChI=1S/C18H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-25-18(24)12-13(19)15(21)17(23)16(22)14(12)20/h2-11H2,1H3
- InChI Key
- PAWOTZAVMHFMJY-UHFFFAOYSA-N
- Formula
- C18H23F5O2
- SMILES
-
CCCCCCCCCCCOC(=O)c1c(F)c(F)c(F
)c(F)c1F - Molecular Weight1
- 366.37
- Other Names
-
- undecyl pentafluorobenzoate
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -1043.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1461.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.32 | kJ/mol | Joback Calculated Property |
| log10WS | -7.56 | Crippen Calculated Property | |
| logPoct/wat | 6.070 | Crippen Calculated Property | |
| McVol | 257.010 | ml/mol | McGowan Calculated Property |
| Pc | 1214.90 | kPa | Joback Calculated Property |
| Inp | [1903.00; 1928.00] |
|
|
| Inp | 1910.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1912.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Inp | 1910.00 | NIST | |
| I | [2182.00; 2199.00] |
|
|
| I | 2185.00 | NIST | |
| I | 2199.00 | NIST | |
| I | 2185.00 | NIST | |
| I | 2182.00 | NIST | |
| I | 2195.00 | NIST | |
| I | 2195.00 | NIST | |
| I | 2199.00 | NIST | |
| I | 2185.00 | NIST | |
| I | 2195.00 | NIST | |
| Tboil | 735.46 | K | Joback Calculated Property |
| Tc | 908.12 | K | Joback Calculated Property |
| Tfus | 456.75 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.94; 825.91] | J/mol×K | [735.46; 908.12] |
|
| Cp,gas | 747.94 | J/mol×K | 735.46 | Joback Calculated Property |
| Cp,gas | 762.76 | J/mol×K | 764.24 | Joback Calculated Property |
| Cp,gas | 776.83 | J/mol×K | 793.01 | Joback Calculated Property |
| Cp,gas | 790.17 | J/mol×K | 821.79 | Joback Calculated Property |
| Cp,gas | 802.80 | J/mol×K | 850.57 | Joback Calculated Property |
| Cp,gas | 814.71 | J/mol×K | 879.35 | Joback Calculated Property |
| Cp,gas | 825.91 | J/mol×K | 908.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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