- InChI
- InChI=1S/C16H19F5O2/c1-2-3-4-5-6-7-8-9-23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-9H2,1H3
- InChI Key
- JYFVJMHUQOOXPH-UHFFFAOYSA-N
- Formula
- C16H19F5O2
- SMILES
-
CCCCCCCCCOC(=O)c1c(F)c(F)c(F)c
(F)c1F - Molecular Weight1
- 338.31
- Other Names
-
- nonyl 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° | -1059.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1419.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.87 | kJ/mol | Joback Calculated Property |
| log10WS | -6.72 | Crippen Calculated Property | |
| logPoct/wat | 5.290 | Crippen Calculated Property | |
| McVol | 228.830 | ml/mol | McGowan Calculated Property |
| Pc | 1395.41 | kPa | Joback Calculated Property |
| Inp | [1708.00; 1734.00] |
|
|
| Inp | 1714.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Inp | Outlier 1734.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Inp | 1711.00 | NIST | |
| I | [1980.00; 2005.00] |
|
|
| I | 1997.00 | NIST | |
| I | 1999.00 | NIST | |
| I | 1986.00 | NIST | |
| I | 1980.00 | NIST | |
| I | 2002.00 | NIST | |
| I | 2003.00 | NIST | |
| I | 2005.00 | NIST | |
| Tboil | 689.70 | K | Joback Calculated Property |
| Tc | 859.82 | K | Joback Calculated Property |
| Tfus | 434.21 | K | Joback Calculated Property |
| Vc | 0.938 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.55; 710.46] | J/mol×K | [689.70; 859.82] |
|
| Cp,gas | 637.55 | J/mol×K | 689.70 | Joback Calculated Property |
| Cp,gas | 651.29 | J/mol×K | 718.05 | Joback Calculated Property |
| Cp,gas | 664.38 | J/mol×K | 746.41 | Joback Calculated Property |
| Cp,gas | 676.84 | J/mol×K | 774.76 | Joback Calculated Property |
| Cp,gas | 688.67 | J/mol×K | 803.12 | Joback Calculated Property |
| Cp,gas | 699.87 | J/mol×K | 831.47 | Joback Calculated Property |
| Cp,gas | 710.46 | J/mol×K | 859.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonyl 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.