- InChI
- InChI=1S/C7H7F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2H,1,3-4H2
- InChI Key
- VLNYKURGUYTUPW-UHFFFAOYSA-N
- Formula
- C7H7F5O2
- SMILES
- C=CCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 218.12
- 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 | 0.4052 | Relay (1.0) Calculated Property | |
| ΔfG° | -1106.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1389.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.303 | Crippen Calculated Property | |
| McVol | 121.480 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | [738.50; 738.50] |
|
|
| Inp | 738.50 | NIST | |
| Inp | 738.50 | NIST | |
| Tboil | 378.13 | K | Relay (1.0) Calculated Property |
| Tc | 505.20 | K | Relay (1.0) Calculated Property |
| Tfus | 202.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.94; 322.55] | J/mol×K | [422.42; 579.68] |
|
| Cp,gas | 268.94 | J/mol×K | 422.42 | Joback Calculated Property |
| Cp,gas | 279.21 | J/mol×K | 448.63 | Joback Calculated Property |
| Cp,gas | 288.92 | J/mol×K | 474.84 | Joback Calculated Property |
| Cp,gas | 298.09 | J/mol×K | 501.05 | Joback Calculated Property |
| Cp,gas | 306.74 | J/mol×K | 527.26 | Joback Calculated Property |
| Cp,gas | 314.88 | J/mol×K | 553.47 | Joback Calculated Property |
| Cp,gas | 322.55 | J/mol×K | 579.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol, pentafluoropropionate.
Sources
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