Chemical Properties of 1,3-Butanedithiol (CAS 24330-52-7)

InChI

InChI=1S/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

InChI Key

XMEPRJBZFCWFKN-UHFFFAOYSA-N

Formula

C4H10S2

SMILES

CC(S)CCS

Molecular Weight¹

122.25

CAS

24330-52-7

Other Names

• 1,3-dimercaptobutane
• butane-1,3-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°	39.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-54.21	kJ/mol	Joback Calculated Property
ΔfusH°	10.68	kJ/mol	Joback Calculated Property
ΔvapH°	37.58	kJ/mol	Joback Calculated Property
log10WS	-1.75		Crippen Calculated Property
logPoct/wat	1.625		Crippen Calculated Property
McVol	99.920	ml/mol	McGowan Calculated Property
Pc	4652.99	kPa	Joback Calculated Property
Inp	[995.00; 995.00]
Inp	995.00		NIST
Inp	995.00		NIST
I	1456.00		NIST
Tboil	416.20	K	Joback Calculated Property
Tc	639.97	K	Joback Calculated Property
Tfus	192.76	K	Joback Calculated Property
Vc	0.361	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.79; 225.02]	J/mol×K	[416.20; 639.97]
Cp,gas	173.79	J/mol×K	416.20	Joback Calculated Property
Cp,gas	183.51	J/mol×K	453.50	Joback Calculated Property
Cp,gas	192.74	J/mol×K	490.79	Joback Calculated Property
Cp,gas	201.50	J/mol×K	528.09	Joback Calculated Property
Cp,gas	209.78	J/mol×K	565.38	Joback Calculated Property
Cp,gas	217.62	J/mol×K	602.68	Joback Calculated Property
Cp,gas	225.02	J/mol×K	639.97	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[339.92; 504.58]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.35882e+01
Coefficient B			-3.60799e+03
Coefficient C			-6.86550e+01
Temperature range, min.			339.92
Temperature range, max.			504.58
Pvap	1.33	kPa	339.92	Calculated Property
Pvap	3.09	kPa	358.22	Calculated Property
Pvap	6.48	kPa	376.51	Calculated Property
Pvap	12.50	kPa	394.81	Calculated Property
Pvap	22.50	kPa	413.10	Calculated Property
Pvap	38.16	kPa	431.40	Calculated Property
Pvap	61.52	kPa	449.69	Calculated Property
Pvap	94.93	kPa	467.99	Calculated Property
Pvap	141.03	kPa	486.28	Calculated Property
Pvap	202.67	kPa	504.58	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Butanedithiol.

Sources

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

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