- InChI
- InChI=1S/C12H18F5NO3S/c1-7(2)6-21-9(19)8(4-5-22-3)18-10(20)11(13,14)12(15,16)17/h7-8H,4-6H2,1-3H3,(H,18,20)
- InChI Key
- JSAAYXUMLFCDGI-UHFFFAOYSA-N
- Formula
- C12H18F5NO3S
- SMILES
-
CSCCC(NC(=O)C(F)(F)C(F)(F)F)C(
=O)OCC(C)C - Molecular Weight1
- 351.33
- 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 | 0.6576 | Relay (1.0) Calculated Property | |
| ΔfG° | -1163.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1756.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.621 | Crippen Calculated Property | |
| McVol | 224.130 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | 1573.00 | NIST | |
| Tboil | 531.64 | K | Relay (1.0) Calculated Property |
| Tc | 678.31 | K | Relay (1.0) Calculated Property |
| Tfus | 322.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.91; 712.26] | J/mol×K | [712.08; 895.68] | 
|
| Cp,gas | 647.91 | J/mol×K | 712.08 | Joback Calculated Property |
| Cp,gas | 660.61 | J/mol×K | 742.68 | Joback Calculated Property |
| Cp,gas | 672.47 | J/mol×K | 773.28 | Joback Calculated Property |
| Cp,gas | 683.53 | J/mol×K | 803.88 | Joback Calculated Property |
| Cp,gas | 693.82 | J/mol×K | 834.48 | Joback Calculated Property |
| Cp,gas | 703.39 | J/mol×K | 865.08 | Joback Calculated Property |
| Cp,gas | 712.26 | J/mol×K | 895.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, n-pentafluoropropionyl-, isobutyl ester.
Sources
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