- InChI
- InChI=1S/C15H23F7O2/c1-2-3-4-5-6-7-8-9-10-11-24-12(23)13(16,17)14(18,19)15(20,21)22/h2-11H2,1H3
- InChI Key
- BAMRUWAHGSFKKX-UHFFFAOYSA-N
- Formula
- C15H23F7O2
- SMILES
-
CCCCCCCCCCCOC(=O)C(F)(F)C(F)(F
)C(F)(F)F - Molecular Weight1
- 368.33
- CAS
- 959103-74-3
- Other Names
-
- Undecyl heptafluorobutyrate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1513.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1996.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.53 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.893 | Crippen Calculated Property | |
| McVol | 242.040 | ml/mol | McGowan Calculated Property |
| Pc | 1214.05 | kPa | Joback Calculated Property |
| Inp | [1386.00; 1392.80] |
|
|
| Inp | 1386.00 | NIST | |
| Inp | 1392.80 | NIST | |
| Tboil | 604.09 | K | Joback Calculated Property |
| Tc | 754.43 | K | Joback Calculated Property |
| Tfus | 342.36 | K | Joback Calculated Property |
| Vc | 0.993 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.52; 765.63] | J/mol×K | [604.09; 754.43] |
|
| Cp,gas | 684.52 | J/mol×K | 604.09 | Joback Calculated Property |
| Cp,gas | 699.86 | J/mol×K | 629.15 | Joback Calculated Property |
| Cp,gas | 714.42 | J/mol×K | 654.20 | Joback Calculated Property |
| Cp,gas | 728.25 | J/mol×K | 679.26 | Joback Calculated Property |
| Cp,gas | 741.37 | J/mol×K | 704.31 | Joback Calculated Property |
| Cp,gas | 753.82 | J/mol×K | 729.37 | Joback Calculated Property |
| Cp,gas | 765.63 | J/mol×K | 754.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, undecyl ester.
Sources
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