- InChI
- InChI=1S/C14H15F5O2/c1-2-3-4-5-6-7-21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-7H2,1H3
- InChI Key
- OXDIHQFKUKTZOU-UHFFFAOYSA-N
- Formula
- C14H15F5O2
- SMILES
-
CCCCCCCOC(=O)c1c(F)c(F)c(F)c(F
)c1F - Molecular Weight1
- 310.26
- Other Names
-
- heptyl pentafluorobenzoate
- 1-Heptanol, 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° | -1076.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1378.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.88 | Crippen Calculated Property | |
| logPoct/wat | 4.509 | Crippen Calculated Property | |
| McVol | 200.650 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Inp | [1512.00; 1538.00] |
|
|
| Inp | 1519.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1538.00 | NIST | |
| I | [1778.00; 1814.00] |
|
|
| I | 1788.00 | NIST | |
| I | 1802.00 | NIST | |
| I | 1801.00 | NIST | |
| I | 1788.00 | NIST | |
| I | 1778.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1800.00 | NIST | |
| I | 1814.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1788.00 | NIST | |
| Tboil | 643.94 | K | Joback Calculated Property |
| Tc | 813.51 | K | Joback Calculated Property |
| Tfus | 411.67 | K | Joback Calculated Property |
| Vc | 0.826 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.24; 599.29] | J/mol×K | [643.94; 813.51] |
|
| Cp,gas | 532.24 | J/mol×K | 643.94 | Joback Calculated Property |
| Cp,gas | 544.78 | J/mol×K | 672.20 | Joback Calculated Property |
| Cp,gas | 556.78 | J/mol×K | 700.46 | Joback Calculated Property |
| Cp,gas | 568.22 | J/mol×K | 728.73 | Joback Calculated Property |
| Cp,gas | 579.12 | J/mol×K | 756.99 | Joback Calculated Property |
| Cp,gas | 589.47 | J/mol×K | 785.25 | Joback Calculated Property |
| Cp,gas | 599.29 | J/mol×K | 813.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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