- InChI
- InChI=1S/C9H7F11O2/c1-2-3-22-4(21)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h2-3H2,1H3
- InChI Key
- UFTXWKSBYSWRLM-UHFFFAOYSA-N
- Formula
- C9H7F11O2
- SMILES
-
CCCOC(=O)C(F)(F)C(F)(F)C(F)(F)
C(F)(F)C(F)(F)F - Molecular Weight1
- 356.13
- Other Names
-
- Propyl perfluorohexanoate
- 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° | -2337.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2674.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.32 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 4.043 | Crippen Calculated Property | |
| McVol | 164.580 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [750.00; 750.50] |
|
|
| Inp | 750.00 | NIST | |
| Inp | 750.50 | NIST | |
| Inp | 750.00 | NIST | |
| Tboil | 457.43 | K | Joback Calculated Property |
| Tc | 595.37 | K | Joback Calculated Property |
| Tfus | 281.94 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.99; 489.05] | J/mol×K | [457.43; 595.37] |
|
| Cp,gas | 425.99 | J/mol×K | 457.43 | Joback Calculated Property |
| Cp,gas | 438.30 | J/mol×K | 480.42 | Joback Calculated Property |
| Cp,gas | 449.85 | J/mol×K | 503.41 | Joback Calculated Property |
| Cp,gas | 460.66 | J/mol×K | 526.40 | Joback Calculated Property |
| Cp,gas | 470.78 | J/mol×K | 549.39 | Joback Calculated Property |
| Cp,gas | 480.23 | J/mol×K | 572.38 | Joback Calculated Property |
| Cp,gas | 489.05 | J/mol×K | 595.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid propyl ester.
Sources
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