Chemical Properties of 2,3-Dimercaptopropan-1-ol (CAS 59-52-9)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.18; 202.64]	kPa	[353.00; 492.76]	The Yaws Handbook of Vapor Pressure
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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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