- InChI
- InChI=1S/C19H30F7NO3/c1-4-6-7-8-9-10-11-12-30-15(28)14(13(3)5-2)27-16(29)17(20,21)18(22,23)19(24,25)26/h13-14H,4-12H2,1-3H3,(H,27,29)
- InChI Key
- SPLZTJSKVYXGAK-UHFFFAOYSA-N
- Formula
- C19H30F7NO3
- SMILES
-
CCCCCCCCCOC(=O)C(NC(=O)C(F)(F)
C(F)(F)C(F)(F)F)C(C)CC - Molecular Weight1
- 453.44
- 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° | -1524.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2148.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.76 | Crippen Calculated Property | |
| logPoct/wat | 5.644 | Crippen Calculated Property | |
| McVol | 309.950 | ml/mol | McGowan Calculated Property |
| Pc | 1000.18 | kPa | Joback Calculated Property |
| Inp | 1847.00 | NIST | |
| Tboil | 798.77 | K | Joback Calculated Property |
| Tc | 978.27 | K | Joback Calculated Property |
| Tfus | 460.03 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.20; 1079.90] | J/mol×K | [798.77; 978.27] | 
|
| Cp,gas | 998.20 | J/mol×K | 798.77 | Joback Calculated Property |
| Cp,gas | 1014.00 | J/mol×K | 828.69 | Joback Calculated Property |
| Cp,gas | 1028.84 | J/mol×K | 858.60 | Joback Calculated Property |
| Cp,gas | 1042.78 | J/mol×K | 888.52 | Joback Calculated Property |
| Cp,gas | 1055.90 | J/mol×K | 918.44 | Joback Calculated Property |
| Cp,gas | 1068.25 | J/mol×K | 948.36 | Joback Calculated Property |
| Cp,gas | 1079.90 | J/mol×K | 978.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-heptafluorobutyryl-, nonyl ester.
Sources
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