- InChI
- InChI=1S/C10H13F7O2/c1-3-5-6(4-2)19-7(18)8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3
- InChI Key
- GTDOABUUMNBTOM-UHFFFAOYSA-N
- Formula
- C10H13F7O2
- SMILES
-
CCCC(CC)OC(=O)C(F)(F)C(F)(F)C(
F)(F)F - Molecular Weight1
- 298.20
- 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 | 0.5422 | Relay (1.0) Calculated Property | |
| ΔfG° | -1558.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1992.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.941 | Crippen Calculated Property | |
| McVol | 171.590 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [860.00; 860.00] |
|
|
| Inp | 860.00 | NIST | |
| Inp | 860.00 | NIST | |
| Tboil | 410.42 | K | Relay (1.0) Calculated Property |
| Tc | 528.37 | K | Relay (1.0) Calculated Property |
| Tfus | 187.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.04; 503.25] | J/mol×K | [489.25; 639.92] |
|
| Cp,gas | 434.04 | J/mol×K | 489.25 | Joback Calculated Property |
| Cp,gas | 447.25 | J/mol×K | 514.36 | Joback Calculated Property |
| Cp,gas | 459.76 | J/mol×K | 539.47 | Joback Calculated Property |
| Cp,gas | 471.59 | J/mol×K | 564.59 | Joback Calculated Property |
| Cp,gas | 482.76 | J/mol×K | 589.70 | Joback Calculated Property |
| Cp,gas | 493.30 | J/mol×K | 614.81 | Joback Calculated Property |
| Cp,gas | 503.25 | J/mol×K | 639.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanol, heptafluorobutyrate.
Sources
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