- InChI
- InChI=1S/C14H11F17O2/c1-2-3-4-5-33-6(32)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-5H2,1H3
- InChI Key
- IPDHNBLBHIACOC-UHFFFAOYSA-N
- Formula
- C14H11F17O2
- SMILES
-
CCCCCOC(=O)C(F)(F)C(F)(F)C(F)(
F)C(F)(F)C(F)(F)C(F)(F)C(F)(F) C(F)(F)F - Molecular Weight1
- 534.21
- 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.
- 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° | -3455.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3980.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.66 | kJ/mol | Joback Calculated Property |
| log10WS | -7.41 | Crippen Calculated Property | |
| logPoct/wat | 6.729 | Crippen Calculated Property | |
| McVol | 245.650 | ml/mol | McGowan Calculated Property |
| Pc | 1021.38 | kPa | Joback Calculated Property |
| Inp | [1076.00; 1076.00] |
|
|
| Inp | 1076.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Tboil | 557.76 | K | Joback Calculated Property |
| Tc | 690.60 | K | Joback Calculated Property |
| Tfus | 349.09 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.82; 794.98] | J/mol×K | [557.76; 690.60] |
|
| Cp,gas | 725.82 | J/mol×K | 557.76 | Joback Calculated Property |
| Cp,gas | 739.47 | J/mol×K | 579.90 | Joback Calculated Property |
| Cp,gas | 752.21 | J/mol×K | 602.04 | Joback Calculated Property |
| Cp,gas | 764.08 | J/mol×K | 624.18 | Joback Calculated Property |
| Cp,gas | 775.13 | J/mol×K | 646.32 | Joback Calculated Property |
| Cp,gas | 785.41 | J/mol×K | 668.46 | Joback Calculated Property |
| Cp,gas | 794.98 | J/mol×K | 690.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, pentyl ester.
Sources
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