- InChI
- InChI=1S/C9H11F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h2H,1,3-6H2
- InChI Key
- SBKDCGOUTAEOCE-UHFFFAOYSA-N
- Formula
- C9H11F5O2
- SMILES
- C=CCCCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 246.17
- 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° | -1089.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1346.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 3.083 | Crippen Calculated Property | |
| McVol | 149.660 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | [880.20; 880.20] |
|
|
| Inp | 880.20 | NIST | |
| Inp | 880.20 | NIST | |
| Tboil | 468.18 | K | Joback Calculated Property |
| Tc | 624.47 | K | Joback Calculated Property |
| Tfus | 269.38 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.24; 414.81] | J/mol×K | [468.18; 624.47] |
|
| Cp,gas | 352.24 | J/mol×K | 468.18 | Joback Calculated Property |
| Cp,gas | 364.14 | J/mol×K | 494.23 | Joback Calculated Property |
| Cp,gas | 375.42 | J/mol×K | 520.28 | Joback Calculated Property |
| Cp,gas | 386.10 | J/mol×K | 546.32 | Joback Calculated Property |
| Cp,gas | 396.22 | J/mol×K | 572.37 | Joback Calculated Property |
| Cp,gas | 405.78 | J/mol×K | 598.42 | Joback Calculated Property |
| Cp,gas | 414.81 | J/mol×K | 624.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-1-ol, pentafluoropropionate.
Sources
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