- InChI
- InChI=1S/C8H13F3O2/c1-4-7(3,5-2)13-6(12)8(9,10)11/h4-5H2,1-3H3
- InChI Key
- XSMKVYXJBIUWMI-UHFFFAOYSA-N
- Formula
- C8H13F3O2
- SMILES
- CCC(C)(CC)OC(=O)C(F)(F)F
- Molecular Weight1
- 198.18
- 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 | 0.4169 | Relay (1.0) Calculated Property | |
| ΔfG° | -796.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1151.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.671 | Crippen Calculated Property | |
| McVol | 136.330 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | [793.00; 793.00] |
|
|
| Inp | 793.00 | NIST | |
| Inp | 793.00 | NIST | |
| Tboil | 396.12 | K | Relay (1.0) Calculated Property |
| Tc | 527.84 | K | Relay (1.0) Calculated Property |
| Tfus | 209.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.57; 376.50] | J/mol×K | [450.08; 619.72] |
|
| Cp,gas | 309.57 | J/mol×K | 450.08 | Joback Calculated Property |
| Cp,gas | 322.30 | J/mol×K | 478.35 | Joback Calculated Property |
| Cp,gas | 334.37 | J/mol×K | 506.63 | Joback Calculated Property |
| Cp,gas | 345.80 | J/mol×K | 534.90 | Joback Calculated Property |
| Cp,gas | 356.62 | J/mol×K | 563.17 | Joback Calculated Property |
| Cp,gas | 366.84 | J/mol×K | 591.45 | Joback Calculated Property |
| Cp,gas | 376.50 | J/mol×K | 619.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3-pentanol, trifluoroacetate.
Sources
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