Chemical Properties of 2,4-dithiahexane (CAS ---)

InChI

InChI=1S/C4H10S2/c1-3-6-4-5-2/h3-4H2,1-2H3

InChI Key

MZEQTJYSLGYJBH-UHFFFAOYSA-N

Formula

C4H10S2

SMILES

CCSCSC

Molecular Weight¹

122.25

CAS

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• 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.
• 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°	49.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-42.15	kJ/mol	Joback Calculated Property
ΔfusH°	14.38	kJ/mol	Joback Calculated Property
ΔvapH°	38.13	kJ/mol	Joback Calculated Property
log10WS	-1.76		Crippen Calculated Property
logPoct/wat	2.060		Crippen Calculated Property
McVol	99.920	ml/mol	McGowan Calculated Property
Pc	4067.32	kPa	Joback Calculated Property
Inp	[979.00; 979.00]
Inp	979.00		NIST
Inp	979.00		NIST
Tboil	428.48	K	Joback Calculated Property
Tc	646.67	K	Joback Calculated Property
Tfus	203.64	K	Joback Calculated Property
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.81; 226.91]	J/mol×K	[428.48; 646.67]
Cp,gas	175.81	J/mol×K	428.48	Joback Calculated Property
Cp,gas	185.27	J/mol×K	464.85	Joback Calculated Property
Cp,gas	194.36	J/mol×K	501.21	Joback Calculated Property
Cp,gas	203.07	J/mol×K	537.58	Joback Calculated Property
Cp,gas	211.40	J/mol×K	573.94	Joback Calculated Property
Cp,gas	219.35	J/mol×K	610.31	Joback Calculated Property
Cp,gas	226.91	J/mol×K	646.67	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[321.08; 444.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58702e+01
Coefficient B			-4.04088e+03
Coefficient C			-6.17600e+01
Temperature range, min.			321.08
Temperature range, max.			444.47
Pvap	1.33	kPa	321.08	Calculated Property
Pvap	2.92	kPa	334.79	Calculated Property
Pvap	5.92	kPa	348.50	Calculated Property
Pvap	11.25	kPa	362.21	Calculated Property
Pvap	20.24	kPa	375.92	Calculated Property
Pvap	34.66	kPa	389.63	Calculated Property
Pvap	56.84	kPa	403.34	Calculated Property
Pvap	89.73	kPa	417.05	Calculated Property
Pvap	136.91	kPa	430.76	Calculated Property
Pvap	202.68	kPa	444.47	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-dithiahexane.

Sources

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

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