- InChI
- InChI=1S/C20H34F5NO3S/c1-3-4-5-6-7-8-9-10-11-12-14-29-17(27)16(13-15-30-2)26-18(28)19(21,22)20(23,24)25/h16H,3-15H2,1-2H3,(H,26,28)
- InChI Key
- MPJHLDRVTBZNEK-UHFFFAOYSA-N
- Formula
- C20H34F5NO3S
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CCSC)NC(=O
)C(F)(F)C(F)(F)F - Molecular Weight1
- 463.55
- 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 | 0.9802 | Relay (1.0) Calculated Property | |
| ΔfG° | -1093.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1898.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.886 | Crippen Calculated Property | |
| McVol | 336.850 | ml/mol | McGowan Calculated Property |
| Pc | 990.13 | kPa | Joback Calculated Property |
| Inp | 2378.00 | NIST | |
| Tboil | 617.87 | K | Relay (1.0) Calculated Property |
| Tc | 765.48 | K | Relay (1.0) Calculated Property |
| Tfus | 343.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.213 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1104.23; 1183.95] | J/mol×K | [895.56; 1096.58] | 
|
| Cp,gas | 1104.23 | J/mol×K | 895.56 | Joback Calculated Property |
| Cp,gas | 1120.05 | J/mol×K | 929.06 | Joback Calculated Property |
| Cp,gas | 1134.77 | J/mol×K | 962.57 | Joback Calculated Property |
| Cp,gas | 1148.45 | J/mol×K | 996.07 | Joback Calculated Property |
| Cp,gas | 1161.16 | J/mol×K | 1029.57 | Joback Calculated Property |
| Cp,gas | 1172.97 | J/mol×K | 1063.07 | Joback Calculated Property |
| Cp,gas | 1183.95 | J/mol×K | 1096.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, n-pentafluoropropionyl-, dodecyl ester.
Sources
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