- InChI
- InChI=1S/C17H26F7NO3/c1-4-6-7-8-9-10-28-13(26)12(11(3)5-2)25-14(27)15(18,19)16(20,21)17(22,23)24/h11-12H,4-10H2,1-3H3,(H,25,27)
- InChI Key
- YZXBJVKQDRIDBH-UHFFFAOYSA-N
- Formula
- C17H26F7NO3
- SMILES
-
CCCCCCCOC(=O)C(NC(=O)C(F)(F)C(
F)(F)C(F)(F)F)C(C)CC - Molecular Weight1
- 425.38
- 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° | -1541.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2107.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.39 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 4.864 | Crippen Calculated Property | |
| McVol | 281.770 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | 1667.00 | NIST | |
| Tboil | 753.01 | K | Joback Calculated Property |
| Tc | 925.32 | K | Joback Calculated Property |
| Tfus | 437.49 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.31; 959.11] | J/mol×K | [753.01; 925.32] | 
|
| Cp,gas | 882.31 | J/mol×K | 753.01 | Joback Calculated Property |
| Cp,gas | 897.16 | J/mol×K | 781.73 | Joback Calculated Property |
| Cp,gas | 911.11 | J/mol×K | 810.45 | Joback Calculated Property |
| Cp,gas | 924.23 | J/mol×K | 839.17 | Joback Calculated Property |
| Cp,gas | 936.57 | J/mol×K | 867.88 | Joback Calculated Property |
| Cp,gas | 948.18 | J/mol×K | 896.60 | Joback Calculated Property |
| Cp,gas | 959.11 | J/mol×K | 925.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-heptafluorobutyryl-, heptyl ester.
Sources
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