- InChI
- InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)
- InChI Key
- NJRXVEJTAYWCQJ-UHFFFAOYSA-N
- Formula
- C4H6O4S
- SMILES
- O=C(O)CC(S)C(=O)O
- Molecular Weight1
- 150.15
- CAS
- 70-49-5
- Other Names
-
- 2-Mercaptosuccinic acid
- 2-Sulfanylsuccinic acid
- 2-Thiomalic acid
- Butanedioic acid, 2-mercapto-
- Malic acid, 2-thio-
- Mercaptosuccinic acid
- Monomercaptosuccinic acid
- NSC 7302
- Thiomalic acid
- USAF EK-P-6297
- USAF M-2
- succinic acid, mercapto-
- «alpha»-Mercaptosuccinic acid
- 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).
- 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° | -521.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.70 | kJ/mol | Joback Calculated Property |
| log10WS | 0.12 | Crippen Calculated Property | |
| logPoct/wat | -0.156 | Crippen Calculated Property | |
| McVol | 98.450 | ml/mol | McGowan Calculated Property |
| Pc | 6718.62 | kPa | Joback Calculated Property |
| Tboil | 645.44 | K | Joback Calculated Property |
| Tc | 839.92 | K | Joback Calculated Property |
| Tfus | 377.80 | K | Joback Calculated Property |
| Vc | 0.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.07; 252.29] | J/mol×K | [645.44; 839.92] | 
|
| Cp,gas | 225.07 | J/mol×K | 645.44 | Joback Calculated Property |
| Cp,gas | 230.40 | J/mol×K | 677.85 | Joback Calculated Property |
| Cp,gas | 235.39 | J/mol×K | 710.27 | Joback Calculated Property |
| Cp,gas | 240.07 | J/mol×K | 742.68 | Joback Calculated Property |
| Cp,gas | 244.44 | J/mol×K | 775.10 | Joback Calculated Property |
| Cp,gas | 248.51 | J/mol×K | 807.51 | Joback Calculated Property |
| Cp,gas | 252.29 | J/mol×K | 839.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, mercapto-.
Mixtures
- Butanedioic acid, mercapto- + Methyl Alcohol
- Ethanol + Butanedioic acid, mercapto-
- Isopropyl Alcohol + Butanedioic acid, mercapto-
- Butanedioic acid, mercapto- + 1-Butanol
- Butanedioic acid, mercapto- + Acetone
- Acetonitrile + Butanedioic acid, mercapto-
- Butanedioic acid, mercapto- + Ethyl Acetate
- Butanedioic acid, mercapto- + Methyl Alcohol + Water
- Ethanol + Butanedioic acid, mercapto- + Water
- Butanedioic acid, mercapto- + Acetone + Water
- Butanedioic acid, mercapto- + Ethyl Acetate + Methyl Alcohol
Sources
- Crippen Method
- Crippen Method
- Thermodynamics of solubility of thiomalic acid in different organicsolvents from 278.15 K to 333.15 K
- The solubility of mercaptosuccinic acid in water + (methanol, ethanol, acetone) mixtures from (278.15 to 333.15 K)
- Thermodynamic analysis for solid liquid equilibrium of mercaptosuccinic acid in a binary solvent of methanol and ethyl acetate at temperatures between (278.15 and 333.15) K
- Joback Method
- McGowan Method
- NIST Webbook
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