- InChI
- InChI=1S/C13H25NO4S/c1-6-17-13(16)14-11(7-8-19-5)12(15)18-10(4)9(2)3/h9-11H,6-8H2,1-5H3,(H,14,16)/t10-,11?/m1/s1
- InChI Key
- MICKYEAKDKWODH-NFJWQWPMSA-N
- Formula
- C13H25NO4S
- SMILES
-
CCOC(=O)NC(CCSC)C(=O)OC(C)C(C)
C - Molecular Weight1
- 291.41
- 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° | -294.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 2.442 | Crippen Calculated Property | |
| McVol | 235.240 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Inp | [1904.70; 1904.70] |
|
|
| Inp | 1904.70 | NIST | |
| Inp | 1904.70 | NIST | |
| Tboil | 767.05 | K | Joback Calculated Property |
| Tc | 967.58 | K | Joback Calculated Property |
| Tfus | 422.65 | K | Joback Calculated Property |
| Vc | 0.882 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.93; 761.49] | J/mol×K | [767.05; 967.58] |
|
| Cp,gas | 686.93 | J/mol×K | 767.05 | Joback Calculated Property |
| Cp,gas | 701.87 | J/mol×K | 800.47 | Joback Calculated Property |
| Cp,gas | 715.80 | J/mol×K | 833.89 | Joback Calculated Property |
| Cp,gas | 728.72 | J/mol×K | 867.32 | Joback Calculated Property |
| Cp,gas | 740.65 | J/mol×K | 900.74 | Joback Calculated Property |
| Cp,gas | 751.57 | J/mol×K | 934.16 | Joback Calculated Property |
| Cp,gas | 761.49 | J/mol×K | 967.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Methionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.
Sources
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