- InChI
- InChI=1S/C12H15F7O2/c1-2-7-5-3-4-6-8(7)21-9(20)10(13,14)11(15,16)12(17,18)19/h7-8H,2-6H2,1H3
- InChI Key
- QUGSZKGFYRCIMJ-UHFFFAOYSA-N
- Formula
- C12H15F7O2
- SMILES
-
CCC1CCCCC1OC(=O)C(F)(F)C(F)(F)
C(F)(F)F - Molecular Weight1
- 324.24
- CAS
- 959079-92-6
- 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 | 0.5048 | Relay (1.0) Calculated Property | |
| ΔfG° | -1522.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1975.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.331 | Crippen Calculated Property | |
| McVol | 188.910 | ml/mol | McGowan Calculated Property |
| Pc | 1721.73 | kPa | Joback Calculated Property |
| Inp | [1079.00; 1079.00] |
|
|
| Inp | 1079.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Tboil | 470.49 | K | Relay (1.0) Calculated Property |
| Tc | 612.91 | K | Relay (1.0) Calculated Property |
| Tfus | 212.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.28; 607.62] | J/mol×K | [550.33; 721.51] |
|
| Cp,gas | 520.28 | J/mol×K | 550.33 | Joback Calculated Property |
| Cp,gas | 537.25 | J/mol×K | 578.86 | Joback Calculated Property |
| Cp,gas | 553.20 | J/mol×K | 607.39 | Joback Calculated Property |
| Cp,gas | 568.17 | J/mol×K | 635.92 | Joback Calculated Property |
| Cp,gas | 582.20 | J/mol×K | 664.45 | Joback Calculated Property |
| Cp,gas | 595.34 | J/mol×K | 692.98 | Joback Calculated Property |
| Cp,gas | 607.62 | J/mol×K | 721.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylcyclohexanol, heptafluorobutyrate.
Sources
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