- InChI
- InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
- InChI Key
- WQABCVAJNWAXTE-UHFFFAOYSA-N
- Formula
- C3H8OS2
- SMILES
- OCC(S)CS
- Molecular Weight1
- 124.22
- CAS
- 59-52-9
- Other Names
-
- 1,2-Dimercapto-3-propanol
- 1,2-Dithioglycerol
- 1-Propanol, 2,3-dimercapto-
- 2,3-Dimercapto-1-propanol
- 2,3-Dimercaptol-1-propanol
- 2,3-Dimercaptopropanol
- 2,3-Dithiopropanol
- 2,3-Mercaptopropan-1-ol
- 3-Hydroxy-1,2-propanedithiol
- Antoxol
- BAL
- BAL in Oil
- British Anti-Lewisite
- DMP
- Dicaptol
- Dimercaprol
- Dimercaprol propanol
- Dimercaptopropanol
- Dimerkaprol
- Dimersol
- Dithioglycerine
- Dithioglycerol
- Glycerol, 1,2-dithio-
- NSC 39515
- NSC 4646
- Panobal
- Sulfactin
- USAF ME-1
- «alpha»,«beta»-Dithioglycerol
- «alpha»,«beta»-Dithioglycerol
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -106.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.04 | kJ/mol | Joback Calculated Property |
| log10WS | -0.60 | Crippen Calculated Property | |
| logPoct/wat | 0.207 | Crippen Calculated Property | |
| McVol | 91.700 | ml/mol | McGowan Calculated Property |
| Pc | 6122.63 | kPa | Joback Calculated Property |
| Tboil | 485.50 | K | Joback Calculated Property |
| Tc | 697.86 | K | Joback Calculated Property |
| Tfus | 242.31 | K | Joback Calculated Property |
| Vc | 0.325 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.46; 210.26] | J/mol×K | [485.50; 697.86] | 
|
| Cp,gas | 173.46 | J/mol×K | 485.50 | Joback Calculated Property |
| Cp,gas | 180.47 | J/mol×K | 520.89 | Joback Calculated Property |
| Cp,gas | 187.12 | J/mol×K | 556.29 | Joback Calculated Property |
| Cp,gas | 193.42 | J/mol×K | 591.68 | Joback Calculated Property |
| Cp,gas | 199.36 | J/mol×K | 627.07 | Joback Calculated Property |
| Cp,gas | 204.97 | J/mol×K | 662.46 | Joback Calculated Property |
| Cp,gas | 210.26 | J/mol×K | 697.86 | Joback Calculated Property |
| ΔvapH | 61.20 | kJ/mol | 383.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.18; 202.64] | kPa | [353.00; 492.76] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.30344e+01 | |||
| Coefficient B | -8.73316e+03 | |||
| Temperature range, min. | 353.00 | |||
| Temperature range, max. | 492.76 | |||
| Pvap | 0.18 | kPa | 353.00 | Calculated Property |
| Pvap | 0.52 | kPa | 368.53 | Calculated Property |
| Pvap | 1.34 | kPa | 384.06 | Calculated Property |
| Pvap | 3.25 | kPa | 399.59 | Calculated Property |
| Pvap | 7.36 | kPa | 415.12 | Calculated Property |
| Pvap | 15.72 | kPa | 430.64 | Calculated Property |
| Pvap | 31.85 | kPa | 446.17 | Calculated Property |
| Pvap | 61.51 | kPa | 461.70 | Calculated Property |
| Pvap | 113.83 | kPa | 477.23 | Calculated Property |
| Pvap | 202.64 | kPa | 492.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimercaptopropan-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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