- InChI
- InChI=1S/C7H7F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-3H,4H2,1H3/b3-2+
- InChI Key
- XQTSJZNHOJRYQC-NSCUHMNNSA-N
- Formula
- C7H7F5O2
- SMILES
- CC=CCOC(=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 | 0.3884 | Relay (1.0) Calculated Property | |
| ΔfG° | -1114.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1420.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.303 | Crippen Calculated Property | |
| McVol | 121.480 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Inp | [745.60; 745.60] |
|
|
| Inp | 745.60 | NIST | |
| Inp | 745.60 | NIST | |
| Tboil | 375.83 | K | Relay (1.0) Calculated Property |
| Tc | 504.59 | K | Relay (1.0) Calculated Property |
| Tfus | 208.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.07; 323.24] | J/mol×K | [429.90; 591.49] |
|
| Cp,gas | 269.07 | J/mol×K | 429.90 | Joback Calculated Property |
| Cp,gas | 279.55 | J/mol×K | 456.83 | Joback Calculated Property |
| Cp,gas | 289.42 | J/mol×K | 483.76 | Joback Calculated Property |
| Cp,gas | 298.69 | J/mol×K | 510.70 | Joback Calculated Property |
| Cp,gas | 307.40 | J/mol×K | 537.63 | Joback Calculated Property |
| Cp,gas | 315.58 | J/mol×K | 564.56 | Joback Calculated Property |
| Cp,gas | 323.24 | J/mol×K | 591.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Crotyl alcohol, pentafluoropropionate.
Sources
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