- InChI
- InChI=1S/C11H15F7O2/c1-3-5-6-7(4-2)20-8(19)9(12,13)10(14,15)11(16,17)18/h7H,3-6H2,1-2H3
- InChI Key
- FJSJBVAURZYIPW-UHFFFAOYSA-N
- Formula
- C11H15F7O2
- SMILES
-
CCCCC(CC)OC(=O)C(F)(F)C(F)(F)C
(F)(F)F - Molecular Weight1
- 312.22
- 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 | 0.5784 | Relay (1.0) Calculated Property | |
| ΔfG° | -1549.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2011.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.331 | Crippen Calculated Property | |
| McVol | 185.680 | ml/mol | McGowan Calculated Property |
| Pc | 1628.54 | kPa | Joback Calculated Property |
| Inp | [947.00; 947.00] |
|
|
| Inp | 947.00 | NIST | |
| Inp | 947.00 | NIST | |
| Tboil | 424.80 | K | Relay (1.0) Calculated Property |
| Tc | 543.40 | K | Relay (1.0) Calculated Property |
| Tfus | 193.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.696 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.18; 553.39] | J/mol×K | [512.13; 662.67] |
|
| Cp,gas | 481.18 | J/mol×K | 512.13 | Joback Calculated Property |
| Cp,gas | 494.94 | J/mol×K | 537.22 | Joback Calculated Property |
| Cp,gas | 507.97 | J/mol×K | 562.31 | Joback Calculated Property |
| Cp,gas | 520.30 | J/mol×K | 587.40 | Joback Calculated Property |
| Cp,gas | 531.96 | J/mol×K | 612.49 | Joback Calculated Property |
| Cp,gas | 542.98 | J/mol×K | 637.58 | Joback Calculated Property |
| Cp,gas | 553.39 | J/mol×K | 662.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanol, heptafluorobutyrate.
Sources
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