- InChI
- InChI=1S/C17H21F5O2/c1-2-3-4-5-6-7-8-9-10-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h2-10H2,1H3
- InChI Key
- LXMRVZIXAUJRAE-UHFFFAOYSA-N
- Formula
- C17H21F5O2
- SMILES
-
CCCCCCCCCCOC(=O)c1c(F)c(F)c(F)
c(F)c1F - Molecular Weight1
- 352.34
- Other Names
-
- decyl 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° | -1051.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1440.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.09 | kJ/mol | Joback Calculated Property |
| log10WS | -7.14 | Crippen Calculated Property | |
| logPoct/wat | 5.680 | Crippen Calculated Property | |
| McVol | 242.920 | ml/mol | McGowan Calculated Property |
| Pc | 1300.47 | kPa | Joback Calculated Property |
| Inp | [1804.00; 1830.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 1811.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Inp | Outlier 1830.00 | NIST | |
| Inp | 1804.00 | NIST | |
| Inp | 1810.00 | NIST | |
| Inp | 1810.00 | NIST | |
| Inp | 1812.00 | NIST | |
| I | [2082.00; 2103.00] |
|
|
| I | 2089.00 | NIST | |
| I | 2100.00 | NIST | |
| I | 2085.00 | NIST | |
| I | 2082.00 | NIST | |
| I | 2098.00 | NIST | |
| I | 2096.00 | NIST | |
| I | 2103.00 | NIST | |
| Tboil | 712.58 | K | Joback Calculated Property |
| Tc | 883.70 | K | Joback Calculated Property |
| Tfus | 445.48 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.16; 767.67] | J/mol×K | [712.58; 883.70] |
|
| Cp,gas | 692.16 | J/mol×K | 712.58 | Joback Calculated Property |
| Cp,gas | 706.44 | J/mol×K | 741.10 | Joback Calculated Property |
| Cp,gas | 720.04 | J/mol×K | 769.62 | Joback Calculated Property |
| Cp,gas | 732.95 | J/mol×K | 798.14 | Joback Calculated Property |
| Cp,gas | 745.19 | J/mol×K | 826.66 | Joback Calculated Property |
| Cp,gas | 756.76 | J/mol×K | 855.18 | Joback Calculated Property |
| Cp,gas | 767.67 | J/mol×K | 883.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Decyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.