Chemical Properties of 1,2-Propanedithiol (CAS 814-67-5)

InChI

InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3

InChI Key

YGKHJWTVMIMEPQ-UHFFFAOYSA-N

Formula

C3H8S2

SMILES

CC(S)CS

Molecular Weight¹

108.23

CAS

814-67-5

Other Names

• 1,2-Dimercaptopropane
• 1,2-Dithiolpropane
• 1,2-Propanedithiol-propylene dimercaptan
• 2,3-Dimercaptopropane
• propane-1,2-dithiol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	30.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-33.57	kJ/mol	Joback Calculated Property
ΔfusH°	8.09	kJ/mol	Joback Calculated Property
ΔvapH°	35.36	kJ/mol	Joback Calculated Property
log10WS	-1.33		Crippen Calculated Property
logPoct/wat	1.235		Crippen Calculated Property
McVol	85.830	ml/mol	McGowan Calculated Property
Pc	5327.93	kPa	Joback Calculated Property
Inp	[832.00; 895.00]
Inp	895.00		NIST
Inp	873.00		NIST
Inp	880.00		NIST
Inp	895.00		NIST
Inp	832.00		NIST
Inp	895.00		NIST
Inp	832.00		NIST
I	[1355.00; 1355.00]
I	1355.00		NIST
I	1355.00		NIST
Tboil	393.32	K	Joback Calculated Property
Tc	619.83	K	Joback Calculated Property
Tfus	181.49	K	Joback Calculated Property
Vc	0.305	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.81; 181.16]	J/mol×K	[393.32; 619.83]
Cp,gas	138.81	J/mol×K	393.32	Joback Calculated Property
Cp,gas	146.84	J/mol×K	431.07	Joback Calculated Property
Cp,gas	154.47	J/mol×K	468.82	Joback Calculated Property
Cp,gas	161.70	J/mol×K	506.57	Joback Calculated Property
Cp,gas	168.56	J/mol×K	544.33	Joback Calculated Property
Cp,gas	175.04	J/mol×K	582.08	Joback Calculated Property
Cp,gas	181.16	J/mol×K	619.83	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[313.12; 481.49]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.28839e+01
Coefficient B			-3.19667e+03
Coefficient C			-5.93420e+01
Temperature range, min.			313.12
Temperature range, max.			481.49
Pvap	1.33	kPa	313.12	Calculated Property
Pvap	3.17	kPa	331.83	Calculated Property
Pvap	6.73	kPa	350.54	Calculated Property
Pvap	13.05	kPa	369.24	Calculated Property
Pvap	23.48	kPa	387.95	Calculated Property
Pvap	39.65	kPa	406.66	Calculated Property
Pvap	63.46	kPa	425.37	Calculated Property
Pvap	97.04	kPa	444.07	Calculated Property
Pvap	142.65	kPa	462.78	Calculated Property
Pvap	202.66	kPa	481.49	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Propanedithiol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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