- InChI
- InChI=1S/C6H7F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2H,1,3-4H2
- InChI Key
- PCRXDGPJDYVEKT-UHFFFAOYSA-N
- Formula
- C6H7F3O2
- SMILES
- C=CCCOC(=O)C(F)(F)F
- Molecular Weight1
- 168.11
- 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 | 0.3489 | Relay (1.0) Calculated Property | |
| ΔfG° | -728.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -935.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.668 | Crippen Calculated Property | |
| McVol | 103.850 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Inp | [729.50; 729.50] |
|
|
| Inp | 729.50 | NIST | |
| Inp | 729.50 | NIST | |
| Tboil | 374.73 | K | Relay (1.0) Calculated Property |
| Tc | 503.18 | K | Relay (1.0) Calculated Property |
| Tfus | 195.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.368 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.92; 259.92] | J/mol×K | [404.23; 568.76] |
|
| Cp,gas | 211.92 | J/mol×K | 404.23 | Joback Calculated Property |
| Cp,gas | 220.95 | J/mol×K | 431.65 | Joback Calculated Property |
| Cp,gas | 229.54 | J/mol×K | 459.07 | Joback Calculated Property |
| Cp,gas | 237.73 | J/mol×K | 486.49 | Joback Calculated Property |
| Cp,gas | 245.51 | J/mol×K | 513.91 | Joback Calculated Property |
| Cp,gas | 252.90 | J/mol×K | 541.34 | Joback Calculated Property |
| Cp,gas | 259.92 | J/mol×K | 568.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol, trifluoroacetate.
Sources
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