- InChI
- InChI=1S/C9H9F7O2/c1-2-3-4-5-18-6(17)7(10,11)8(12,13)9(14,15)16/h3-4H,2,5H2,1H3/b4-3-
- InChI Key
- FSEMQZHHOLDNDZ-ARJAWSKDSA-N
- Formula
- C9H9F7O2
- SMILES
-
CCC=CCOC(=O)C(F)(F)C(F)(F)C(F)
(F)F - Molecular Weight1
- 282.16
- 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 | 0.4460 | Relay (1.0) Calculated Property | |
| ΔfG° | -1483.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1872.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.329 | Crippen Calculated Property | |
| McVol | 153.200 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | [832.20; 832.20] |
|
|
| Inp | 832.20 | NIST | |
| Inp | 832.20 | NIST | |
| Tboil | 401.86 | K | Relay (1.0) Calculated Property |
| Tc | 528.62 | K | Relay (1.0) Calculated Property |
| Tfus | 189.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.20; 433.90] | J/mol×K | [470.97; 625.29] |
|
| Cp,gas | 372.20 | J/mol×K | 470.97 | Joback Calculated Property |
| Cp,gas | 384.19 | J/mol×K | 496.69 | Joback Calculated Property |
| Cp,gas | 395.46 | J/mol×K | 522.41 | Joback Calculated Property |
| Cp,gas | 406.02 | J/mol×K | 548.13 | Joback Calculated Property |
| Cp,gas | 415.93 | J/mol×K | 573.85 | Joback Calculated Property |
| Cp,gas | 425.21 | J/mol×K | 599.57 | Joback Calculated Property |
| Cp,gas | 433.90 | J/mol×K | 625.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-2-Penten-1-ol, heptafluorobutyrate.
Sources
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