- InChI
- InChI=1S/C13H9F17O2/c1-4(2)3-32-5(31)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4H,3H2,1-2H3
- InChI Key
- XSDRRINXCUUIPN-UHFFFAOYSA-N
- Formula
- C13H9F17O2
- SMILES
-
CC(C)COC(=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
- 520.18
- 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° | -3466.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3965.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.04 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 6.195 | Crippen Calculated Property | |
| McVol | 231.560 | ml/mol | McGowan Calculated Property |
| Pc | 1092.82 | kPa | Joback Calculated Property |
| Inp | [962.00; 962.00] |
|
|
| Inp | 962.00 | NIST | |
| Inp | 962.00 | NIST | |
| Tboil | 534.44 | K | Joback Calculated Property |
| Tc | 666.43 | K | Joback Calculated Property |
| Tfus | 322.82 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.74; 743.43] | J/mol×K | [534.44; 666.43] |
|
| Cp,gas | 674.74 | J/mol×K | 534.44 | Joback Calculated Property |
| Cp,gas | 688.35 | J/mol×K | 556.44 | Joback Calculated Property |
| Cp,gas | 701.03 | J/mol×K | 578.44 | Joback Calculated Property |
| Cp,gas | 712.83 | J/mol×K | 600.43 | Joback Calculated Property |
| Cp,gas | 723.80 | J/mol×K | 622.43 | Joback Calculated Property |
| Cp,gas | 733.98 | J/mol×K | 644.43 | Joback Calculated Property |
| Cp,gas | 743.43 | J/mol×K | 666.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, isobutyl ester.
Sources
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