- InChI
- InChI=1S/C11H17F5O2/c1-3-4-5-6-7-8(2)18-9(17)10(12,13)11(14,15)16/h8H,3-7H2,1-2H3
- InChI Key
- XSSVHQACLODJSO-UHFFFAOYSA-N
- Formula
- C11H17F5O2
- SMILES
-
CCCCCCC(C)OC(=O)C(F)(F)C(F)(F)
F - Molecular Weight1
- 276.24
- 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.
- I : 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 | 0.5802 | Relay (1.0) Calculated Property | |
| ΔfG° | -1162.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1621.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 182.140 | ml/mol | McGowan Calculated Property |
| Pc | 1726.03 | kPa | Joback Calculated Property |
| Inp | [987.00; 1008.80] |
|
|
| Inp | 1008.80 | NIST | |
| Inp | 987.00 | NIST | |
| I | 1001.00 | NIST | |
| Tboil | 422.08 | K | Relay (1.0) Calculated Property |
| Tc | 550.21 | K | Relay (1.0) Calculated Property |
| Tfus | 221.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.07; 536.38] | J/mol×K | [516.82; 672.47] |
|
| Cp,gas | 462.07 | J/mol×K | 516.82 | Joback Calculated Property |
| Cp,gas | 476.07 | J/mol×K | 542.76 | Joback Calculated Property |
| Cp,gas | 489.39 | J/mol×K | 568.70 | Joback Calculated Property |
| Cp,gas | 502.06 | J/mol×K | 594.65 | Joback Calculated Property |
| Cp,gas | 514.10 | J/mol×K | 620.59 | Joback Calculated Property |
| Cp,gas | 525.53 | J/mol×K | 646.53 | Joback Calculated Property |
| Cp,gas | 536.38 | J/mol×K | 672.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octanol, pentafluoropropionate.
Sources
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