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

InChI

InChI=1S/C6H14S2/c1-3-4-5-8-6-7-2/h3-6H2,1-2H3

InChI Key

YCAQLLUVGIOAHA-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CCCCSCSC

Molecular Weight¹

150.31

CAS

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• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-83.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.56	kJ/mol	Joback Calculated Property
ΔvapH°	55.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
logPoct/wat	2.840		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1167.00; 1167.00]
Inp	1167.00		NIST
Inp	1167.00		NIST
Tboil	474.13	K	Relay (1.0) Calculated Property
Tc	687.96	K	Relay (1.0) Calculated Property
Tfus	211.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.77; 382.05]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.66340e+01
Coefficient B			5.62620e-01
Coefficient C			-2.22200e-04
Coefficient D			5.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.77	J/mol×K	273.00	Calculated Property
Cp,gas	208.09	J/mol×K	353.78	Calculated Property
Cp,gas	239.57	J/mol×K	434.56	Calculated Property
Cp,gas	268.25	J/mol×K	515.33	Calculated Property
Cp,gas	294.12	J/mol×K	596.11	Calculated Property
Cp,gas	317.21	J/mol×K	676.89	Calculated Property
Cp,gas	337.53	J/mol×K	757.67	Calculated Property
Cp,gas	355.10	J/mol×K	838.44	Calculated Property
Cp,gas	369.94	J/mol×K	919.22	Calculated Property
Cp,gas	382.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[360.52; 489.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64270e+01
Coefficient B			-4.60060e+03
Coefficient C			-7.54660e+01
Temperature range, min.			360.52
Temperature range, max.			489.36
Pvap	1.33	kPa	360.52	Calculated Property
Pvap	2.88	kPa	374.84	Calculated Property
Pvap	5.82	kPa	389.15	Calculated Property
Pvap	11.03	kPa	403.47	Calculated Property
Pvap	19.83	kPa	417.78	Calculated Property
Pvap	34.02	kPa	432.10	Calculated Property
Pvap	55.96	kPa	446.41	Calculated Property
Pvap	88.72	kPa	460.73	Calculated Property
Pvap	136.09	kPa	475.04	Calculated Property
Pvap	202.67	kPa	489.36	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-dithiaoctane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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