- InChI
- InChI=1S/C14H27NO4S/c1-6-18-14(17)15-12(8-9-20-7-2)13(16)19-11(5)10(3)4/h10-12H,6-9H2,1-5H3,(H,15,17)/t11-,12?/m1/s1
- InChI Key
- WJFMXOHGTNBCRA-JHJMLUEUSA-N
- Formula
- C14H27NO4S
- SMILES
-
CCOC(=O)NC(CCSCC)C(=O)OC(C)C(C
)C - Molecular Weight1
- 305.43
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -285.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.832 | Crippen Calculated Property | |
| McVol | 249.330 | ml/mol | McGowan Calculated Property |
| Pc | 1713.19 | kPa | Joback Calculated Property |
| Inp | 1980.40 | NIST | |
| Tboil | 789.93 | K | Joback Calculated Property |
| Tc | 989.57 | K | Joback Calculated Property |
| Tfus | 433.92 | K | Joback Calculated Property |
| Vc | 0.939 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.32; 818.82] | J/mol×K | [789.93; 989.57] | 
|
| Cp,gas | 743.32 | J/mol×K | 789.93 | Joback Calculated Property |
| Cp,gas | 758.52 | J/mol×K | 823.20 | Joback Calculated Property |
| Cp,gas | 772.67 | J/mol×K | 856.48 | Joback Calculated Property |
| Cp,gas | 785.77 | J/mol×K | 889.75 | Joback Calculated Property |
| Cp,gas | 797.83 | J/mol×K | 923.02 | Joback Calculated Property |
| Cp,gas | 808.85 | J/mol×K | 956.30 | Joback Calculated Property |
| Cp,gas | 818.82 | J/mol×K | 989.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Ethionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.
Sources
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