- InChI
- InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
- InChI Key
- GGLZPLKKBSSKCX-UHFFFAOYSA-N
- Formula
- C6H13NO2S
- SMILES
- CCSCCC(N)C(=O)O
- Molecular Weight1
- 163.24
- CAS
- 67-21-0
- Other Names
-
- Butyric acid, 2-amino-4-(ethylthio)-, DL-
- (.+/-.)-Ethionine
- Aethionin
- CN 8676
- DL-Ethionine
- DL-2-Amino-4-(ethylthio)butyric acid
- Ethionin
- Ethionine
- NSC-751
- Butyric acid, DL-2-amino-4-(ethylthio)-
- Ethionine, DL-
- U-1434
- 2-Amino-4-(ethylthio)butyric acid
- Homocysteine, S-ethyl-
- S-Ethyl-DL-homocysteine
- 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).
- 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 | 0.6887 | Relay (1.0) Calculated Property | |
| ΔfG° | -168.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.542 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 4124.99 | kPa | Joback Calculated Property |
| Tboil | 553.83 | K | Relay (1.0) Calculated Property |
| Tc | 758.99 | K | Relay (1.0) Calculated Property |
| Tfus | 446.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.77; 370.52] | J/mol×K | [623.60; 825.09] | 
|
| Cp,gas | 320.77 | J/mol×K | 623.60 | Joback Calculated Property |
| Cp,gas | 330.35 | J/mol×K | 657.18 | Joback Calculated Property |
| Cp,gas | 339.40 | J/mol×K | 690.76 | Joback Calculated Property |
| Cp,gas | 347.93 | J/mol×K | 724.34 | Joback Calculated Property |
| Cp,gas | 355.96 | J/mol×K | 757.93 | Joback Calculated Property |
| Cp,gas | 363.48 | J/mol×K | 791.51 | Joback Calculated Property |
| Cp,gas | 370.52 | J/mol×K | 825.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Homocysteine, S-ethyl-.
Sources
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