- InChI
- InChI=1S/C12H16F7NO3S/c1-3-5-23-8(21)7(4-6-24-2)20-9(22)10(13,14)11(15,16)12(17,18)19/h7H,3-6H2,1-2H3,(H,20,22)
- InChI Key
- DXEDYBBAJBCCRO-UHFFFAOYSA-N
- Formula
- C12H16F7NO3S
- SMILES
-
CCCOC(=O)C(CCSC)NC(=O)C(F)(F)C
(F)(F)C(F)(F)F - Molecular Weight1
- 387.31
- CAS
- 88436-11-7
- Other Names
-
- L-Methionine, N-heptafluorobutyryl-, propyl ester
- 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 | 0.6797 | Relay (1.0) Calculated Property | |
| ΔfG° | -1547.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2129.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 227.670 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | 1550.00 | NIST | |
| Tboil | 532.77 | K | Relay (1.0) Calculated Property |
| Tc | 671.24 | K | Relay (1.0) Calculated Property |
| Tfus | 299.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.801 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.77; 725.81] | J/mol×K | [707.83; 884.98] | 
|
| Cp,gas | 665.77 | J/mol×K | 707.83 | Joback Calculated Property |
| Cp,gas | 677.66 | J/mol×K | 737.35 | Joback Calculated Property |
| Cp,gas | 688.74 | J/mol×K | 766.88 | Joback Calculated Property |
| Cp,gas | 699.05 | J/mol×K | 796.40 | Joback Calculated Property |
| Cp,gas | 708.63 | J/mol×K | 825.93 | Joback Calculated Property |
| Cp,gas | 717.54 | J/mol×K | 855.45 | Joback Calculated Property |
| Cp,gas | 725.81 | J/mol×K | 884.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(Heptafluorobutyryl)methionine propyl ester.
Sources
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