- InChI
- InChI=1S/C16H26F5NO3S/c1-3-4-5-6-7-8-10-25-13(23)12(9-11-26-2)22-14(24)15(17,18)16(19,20)21/h12H,3-11H2,1-2H3,(H,22,24)
- InChI Key
- XQLOQVWYMYTKAS-UHFFFAOYSA-N
- Formula
- C16H26F5NO3S
- SMILES
-
CCCCCCCCOC(=O)C(CCSC)NC(=O)C(F
)(F)C(F)(F)F - Molecular Weight1
- 407.44
- 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 | 0.8313 | Relay (1.0) Calculated Property | |
| ΔfG° | -1127.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1817.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.326 | Crippen Calculated Property | |
| McVol | 280.490 | ml/mol | McGowan Calculated Property |
| Pc | 1280.99 | kPa | Joback Calculated Property |
| Inp | 1983.00 | NIST | |
| Tboil | 579.82 | K | Relay (1.0) Calculated Property |
| Tc | 726.52 | K | Relay (1.0) Calculated Property |
| Tfus | 327.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.998 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [868.81; 940.40] | J/mol×K | [804.04; 989.44] | 
|
| Cp,gas | 868.81 | J/mol×K | 804.04 | Joback Calculated Property |
| Cp,gas | 882.89 | J/mol×K | 834.94 | Joback Calculated Property |
| Cp,gas | 896.05 | J/mol×K | 865.84 | Joback Calculated Property |
| Cp,gas | 908.33 | J/mol×K | 896.74 | Joback Calculated Property |
| Cp,gas | 919.79 | J/mol×K | 927.64 | Joback Calculated Property |
| Cp,gas | 930.46 | J/mol×K | 958.54 | Joback Calculated Property |
| Cp,gas | 940.40 | J/mol×K | 989.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, n-pentafluoropropionyl-, octyl ester.
Sources
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