- InChI
- InChI=1S/C10H11F7O2/c1-2-3-4-5-6-19-7(18)8(11,12)9(13,14)10(15,16)17/h2H,1,3-6H2
- InChI Key
- QNLAGUOCYODSMS-UHFFFAOYSA-N
- Formula
- C10H11F7O2
- SMILES
-
C=CCCCCOC(=O)C(F)(F)C(F)(F)C(F
)(F)F - Molecular Weight1
- 296.18
- 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 | 0.5404 | Relay (1.0) Calculated Property | |
| ΔfG° | -1467.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1855.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.719 | Crippen Calculated Property | |
| McVol | 167.290 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Inp | [925.50; 925.50] |
|
|
| Inp | 925.50 | NIST | |
| Inp | 925.50 | NIST | |
| Tboil | 428.62 | K | Relay (1.0) Calculated Property |
| Tc | 548.19 | K | Relay (1.0) Calculated Property |
| Tfus | 211.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.95; 480.83] | J/mol×K | [486.37; 636.73] |
|
| Cp,gas | 415.95 | J/mol×K | 486.37 | Joback Calculated Property |
| Cp,gas | 428.41 | J/mol×K | 511.43 | Joback Calculated Property |
| Cp,gas | 440.18 | J/mol×K | 536.49 | Joback Calculated Property |
| Cp,gas | 451.27 | J/mol×K | 561.55 | Joback Calculated Property |
| Cp,gas | 461.73 | J/mol×K | 586.61 | Joback Calculated Property |
| Cp,gas | 471.57 | J/mol×K | 611.67 | Joback Calculated Property |
| Cp,gas | 480.83 | J/mol×K | 636.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-1-ol, heptafluorobutyrate.
Sources
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