- InChI
- InChI=1S/C9H11F5O4/c1-4(2)3-5(6(15)16)18-7(17)8(10,11)9(12,13)14/h4-5H,3H2,1-2H3,(H,15,16)
- InChI Key
- XEXKYFPORBOREK-UHFFFAOYSA-N
- Formula
- C9H11F5O4
- SMILES
-
CC(C)CC(OC(=O)C(F)(F)C(F)(F)F)
C(=O)O - Molecular Weight1
- 278.17
- 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 | 0.7298 | Relay (1.0) Calculated Property | |
| ΔfG° | -1448.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1906.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.226 | Crippen Calculated Property | |
| McVol | 161.400 | ml/mol | McGowan Calculated Property |
| Pc | 2374.90 | kPa | Joback Calculated Property |
| Inp | [1165.00; 1165.00] |
|
|
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Tboil | 459.91 | K | Relay (1.0) Calculated Property |
| Tc | 605.29 | K | Relay (1.0) Calculated Property |
| Tfus | 318.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.46; 495.87] | J/mol×K | [616.67; 781.60] |
|
| Cp,gas | 445.46 | J/mol×K | 616.67 | Joback Calculated Property |
| Cp,gas | 455.24 | J/mol×K | 644.16 | Joback Calculated Property |
| Cp,gas | 464.43 | J/mol×K | 671.65 | Joback Calculated Property |
| Cp,gas | 473.07 | J/mol×K | 699.14 | Joback Calculated Property |
| Cp,gas | 481.17 | J/mol×K | 726.62 | Joback Calculated Property |
| Cp,gas | 488.76 | J/mol×K | 754.11 | Joback Calculated Property |
| Cp,gas | 495.87 | J/mol×K | 781.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyisocaproic acid, pentafluoropropionate.
Sources
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