- InChI
- InChI=1S/C8H11F5O2/c1-5(2)3-4-15-6(14)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3
- InChI Key
- CCLXLYFCCIQVEZ-UHFFFAOYSA-N
- Formula
- C8H11F5O2
- SMILES
- CC(C)CCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 234.16
- 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 | 0.4737 | Relay (1.0) Calculated Property | |
| ΔfG° | -1188.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1549.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.773 | Crippen Calculated Property | |
| McVol | 139.870 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | 770.80 | NIST | |
| Tboil | 389.84 | K | Relay (1.0) Calculated Property |
| Tc | 512.20 | K | Relay (1.0) Calculated Property |
| Tfus | 205.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.14; 389.18] | J/mol×K | [448.18; 605.31] | 
|
| Cp,gas | 326.14 | J/mol×K | 448.18 | Joback Calculated Property |
| Cp,gas | 338.08 | J/mol×K | 474.37 | Joback Calculated Property |
| Cp,gas | 349.41 | J/mol×K | 500.56 | Joback Calculated Property |
| Cp,gas | 360.17 | J/mol×K | 526.75 | Joback Calculated Property |
| Cp,gas | 370.37 | J/mol×K | 552.94 | Joback Calculated Property |
| Cp,gas | 380.03 | J/mol×K | 579.12 | Joback Calculated Property |
| Cp,gas | 389.18 | J/mol×K | 605.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-1-butanol, pentafluoropropionate.
Sources
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