- InChI
- InChI=1S/C23H38F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-34-19(32)18(15-17-35-2)31-20(33)21(24,25)22(26,27)23(28,29)30/h18H,3-17H2,1-2H3,(H,31,33)
- InChI Key
- YQPKMJSNXAVJSX-UHFFFAOYSA-N
- Formula
- C23H38F7NO3S
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(CCSC)NC(
=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 541.61
- 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 | 1.0918 | Relay (1.0) Calculated Property | |
| ΔfG° | -1455.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2344.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.302 | Crippen Calculated Property | |
| McVol | 382.660 | ml/mol | McGowan Calculated Property |
| Pc | 799.34 | kPa | Joback Calculated Property |
| Inp | 2455.00 | NIST | |
| Tboil | 644.88 | K | Relay (1.0) Calculated Property |
| Tc | 779.58 | K | Relay (1.0) Calculated Property |
| Tfus | 338.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.386 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1301.60; 1389.88] | J/mol×K | [959.51; 1183.43] | 
|
| Cp,gas | 1301.60 | J/mol×K | 959.51 | Joback Calculated Property |
| Cp,gas | 1318.96 | J/mol×K | 996.83 | Joback Calculated Property |
| Cp,gas | 1335.09 | J/mol×K | 1034.15 | Joback Calculated Property |
| Cp,gas | 1350.11 | J/mol×K | 1071.47 | Joback Calculated Property |
| Cp,gas | 1364.16 | J/mol×K | 1108.79 | Joback Calculated Property |
| Cp,gas | 1377.38 | J/mol×K | 1146.11 | Joback Calculated Property |
| Cp,gas | 1389.88 | J/mol×K | 1183.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Methionine, n-heptafluorobutyryl-, tetradecyl ester.
Sources
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