- InChI
- InChI=1S/C12H9F15O2/c1-4(2)3-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4H,3H2,1-2H3
- InChI Key
- WRMQEARPYRLONJ-UHFFFAOYSA-N
- Formula
- C12H9F15O2
- SMILES
-
CC(C)COC(=O)C(F)(F)C(F)(F)C(F)
(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F )F - Molecular Weight1
- 470.17
- 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 | 0.6486 | Relay (1.0) Calculated Property | |
| ΔfG° | -3088.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3608.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.560 | Crippen Calculated Property | |
| McVol | 213.930 | ml/mol | McGowan Calculated Property |
| Pc | 1224.27 | kPa | Joback Calculated Property |
| Inp | [934.00; 934.00] |
|
|
| Inp | 934.00 | NIST | |
| Inp | 934.00 | NIST | |
| Tboil | 461.01 | K | Relay (1.0) Calculated Property |
| Tc | 581.21 | K | Relay (1.0) Calculated Property |
| Tfus | 278.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.73; 674.18] | J/mol×K | [516.25; 650.14] |
|
| Cp,gas | 605.73 | J/mol×K | 516.25 | Joback Calculated Property |
| Cp,gas | 619.22 | J/mol×K | 538.56 | Joback Calculated Property |
| Cp,gas | 631.82 | J/mol×K | 560.88 | Joback Calculated Property |
| Cp,gas | 643.57 | J/mol×K | 583.19 | Joback Calculated Property |
| Cp,gas | 654.51 | J/mol×K | 605.51 | Joback Calculated Property |
| Cp,gas | 664.70 | J/mol×K | 627.82 | Joback Calculated Property |
| Cp,gas | 674.18 | J/mol×K | 650.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, isobutyl ester.
Sources
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