- InChI
- InChI=1S/C21H34F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-32-17(30)16(15(2)3)29-18(31)19(22,23)20(24,25)21(26,27)28/h15-16H,4-14H2,1-3H3,(H,29,31)
- InChI Key
- BIMNQVWNKMRGJB-UHFFFAOYSA-N
- Formula
- C21H34F7NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(NC(=O)C(F)
(F)C(F)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 481.49
- 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° | -1507.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2190.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.30 | kJ/mol | Joback Calculated Property |
| log10WS | -7.60 | Crippen Calculated Property | |
| logPoct/wat | 6.424 | Crippen Calculated Property | |
| McVol | 338.130 | ml/mol | McGowan Calculated Property |
| Pc | 888.94 | kPa | Joback Calculated Property |
| Inp | [2070.00; 2070.00] |
|
|
| Inp | 2070.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Tboil | 844.53 | K | Joback Calculated Property |
| Tc | 1034.48 | K | Joback Calculated Property |
| Tfus | 482.57 | K | Joback Calculated Property |
| Vc | 1.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1117.35; 1204.78] | J/mol×K | [844.53; 1034.48] |
|
| Cp,gas | 1117.35 | J/mol×K | 844.53 | Joback Calculated Property |
| Cp,gas | 1134.28 | J/mol×K | 876.19 | Joback Calculated Property |
| Cp,gas | 1150.15 | J/mol×K | 907.85 | Joback Calculated Property |
| Cp,gas | 1165.06 | J/mol×K | 939.50 | Joback Calculated Property |
| Cp,gas | 1179.08 | J/mol×K | 971.16 | Joback Calculated Property |
| Cp,gas | 1192.29 | J/mol×K | 1002.82 | Joback Calculated Property |
| Cp,gas | 1204.78 | J/mol×K | 1034.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-heptafluorobutyryl-, dodecyl ester.
Sources
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