- InChI
- InChI=1S/C9H13F5O2/c1-3-4-5-6(2)16-7(15)8(10,11)9(12,13)14/h6H,3-5H2,1-2H3
- InChI Key
- VGESMKBFOHXRFP-UHFFFAOYSA-N
- Formula
- C9H13F5O2
- SMILES
- CCCCC(C)OC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 248.19
- 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° | -1179.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1477.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.306 | Crippen Calculated Property | |
| McVol | 153.960 | ml/mol | McGowan Calculated Property |
| Pc | 2038.23 | kPa | Joback Calculated Property |
| Inp | [820.20; 820.20] |
|
|
| Inp | 820.20 | NIST | |
| Inp | 820.20 | NIST | |
| Tboil | 471.06 | K | Joback Calculated Property |
| Tc | 627.66 | K | Joback Calculated Property |
| Tfus | 256.14 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.62; 436.81] | J/mol×K | [471.06; 627.66] |
|
| Cp,gas | 369.62 | J/mol×K | 471.06 | Joback Calculated Property |
| Cp,gas | 382.31 | J/mol×K | 497.16 | Joback Calculated Property |
| Cp,gas | 394.39 | J/mol×K | 523.26 | Joback Calculated Property |
| Cp,gas | 405.85 | J/mol×K | 549.36 | Joback Calculated Property |
| Cp,gas | 416.73 | J/mol×K | 575.46 | Joback Calculated Property |
| Cp,gas | 427.04 | J/mol×K | 601.56 | Joback Calculated Property |
| Cp,gas | 436.81 | J/mol×K | 627.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanol, pentafluoropropionate.
Sources
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