- InChI
- InChI=1S/C9H17NO3S/c1-4-13-9(12)8(5-6-14-3)10-7(2)11/h8H,4-6H2,1-3H3,(H,10,11)
- InChI Key
- HWRSILOQIXCGQU-UHFFFAOYSA-N
- Formula
- C9H17NO3S
- SMILES
- CCOC(=O)C(CCSC)NC(C)=O
- Molecular Weight1
- 219.30
- CAS
- 33280-93-2
- Other Names
-
- Methionine, N-acetyl-, ethyl ester, DL-
- N-Acetyl-DL-methionine ethyl ester
- (dl) N-acetylmethionine ethyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.5874 | Relay (1.0) Calculated Property | |
| ΔfG° | -217.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.807 | Crippen Calculated Property | |
| McVol | 173.010 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Tboil | 564.38 | K | Relay (1.0) Calculated Property |
| Tc | 745.17 | K | Relay (1.0) Calculated Property |
| Tfus | 317.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.19; 513.01] | J/mol×K | [653.99; 857.62] | 
|
| Cp,gas | 446.19 | J/mol×K | 653.99 | Joback Calculated Property |
| Cp,gas | 459.15 | J/mol×K | 687.93 | Joback Calculated Property |
| Cp,gas | 471.38 | J/mol×K | 721.87 | Joback Calculated Property |
| Cp,gas | 482.88 | J/mol×K | 755.80 | Joback Calculated Property |
| Cp,gas | 493.66 | J/mol×K | 789.74 | Joback Calculated Property |
| Cp,gas | 503.70 | J/mol×K | 823.68 | Joback Calculated Property |
| Cp,gas | 513.01 | J/mol×K | 857.62 | Joback Calculated Property |
| ΔvapH | 81.60 | kJ/mol | 475.50 | NIST |
Similar Compounds
Find more compounds similar to DL-Methionine, N-acetyl-, ethyl ester.
Sources
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