- InChI
- InChI=1S/C12H15F7O2/c1-3-5-6-7-8(4-2)21-9(20)10(13,14)11(15,16)12(17,18)19/h4,8H,2-3,5-7H2,1H3
- InChI Key
- QROWCCNORFAIJS-UHFFFAOYSA-N
- Formula
- C12H15F7O2
- SMILES
-
C=CC(CCCCC)OC(=O)C(F)(F)C(F)(F
)C(F)(F)F - Molecular Weight1
- 324.24
- 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.
- 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 | 0.5602 | Relay (1.0) Calculated Property | |
| ΔfG° | -1453.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1918.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.497 | Crippen Calculated Property | |
| McVol | 195.470 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [1015.60; 1015.60] |
|
|
| Inp | 1015.60 | NIST | |
| Inp | 1015.60 | NIST | |
| Tboil | 439.44 | K | Relay (1.0) Calculated Property |
| Tc | 554.34 | K | Relay (1.0) Calculated Property |
| Tfus | 210.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.49; 582.51] | J/mol×K | [531.69; 684.32] |
|
| Cp,gas | 510.49 | J/mol×K | 531.69 | Joback Calculated Property |
| Cp,gas | 524.28 | J/mol×K | 557.13 | Joback Calculated Property |
| Cp,gas | 537.31 | J/mol×K | 582.57 | Joback Calculated Property |
| Cp,gas | 549.62 | J/mol×K | 608.00 | Joback Calculated Property |
| Cp,gas | 561.23 | J/mol×K | 633.44 | Joback Calculated Property |
| Cp,gas | 572.18 | J/mol×K | 658.88 | Joback Calculated Property |
| Cp,gas | 582.51 | J/mol×K | 684.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octen-3-ol, heptafluorobutyrate.
Sources
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