- InChI
- InChI=1S/C11H15F5O2/c1-3-5-6-7-8(4-2)18-9(17)10(12,13)11(14,15)16/h4,8H,2-3,5-7H2,1H3
- InChI Key
- QWKJNSPWLFHFQM-UHFFFAOYSA-N
- Formula
- C11H15F5O2
- SMILES
-
C=CC(CCCCC)OC(=O)C(F)(F)C(F)(F
)F - Molecular Weight1
- 274.23
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5158 | Relay (1.0) Calculated Property | |
| ΔfG° | -1075.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1498.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.862 | Crippen Calculated Property | |
| McVol | 177.840 | ml/mol | McGowan Calculated Property |
| Pc | 1787.88 | kPa | Joback Calculated Property |
| Inp | 970.60 | NIST | |
| Tboil | 427.43 | K | Relay (1.0) Calculated Property |
| Tc | 546.04 | K | Relay (1.0) Calculated Property |
| Tfus | 212.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.27; 514.52] | J/mol×K | [513.50; 671.60] | 
|
| Cp,gas | 443.27 | J/mol×K | 513.50 | Joback Calculated Property |
| Cp,gas | 456.79 | J/mol×K | 539.85 | Joback Calculated Property |
| Cp,gas | 469.62 | J/mol×K | 566.20 | Joback Calculated Property |
| Cp,gas | 481.78 | J/mol×K | 592.55 | Joback Calculated Property |
| Cp,gas | 493.30 | J/mol×K | 618.90 | Joback Calculated Property |
| Cp,gas | 504.21 | J/mol×K | 645.25 | Joback Calculated Property |
| Cp,gas | 514.52 | J/mol×K | 671.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octen-3-ol, pentafluoropropionate.
Sources
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