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

InChI

InChI=1S/C5H12S2/c1-3-4-7-5-6-2/h3-5H2,1-2H3

InChI Key

UURPBBKQQQDCEW-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CCCSCSC

Molecular Weight¹

136.28

CAS

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• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2800		Relay (1.0) Calculated Property
ΔfG°	57.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-62.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.97	kJ/mol	Joback Calculated Property
ΔvapH°	49.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-2.28		Relay (1.0) Calculated Property
logPoct/wat	2.450		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3611.55	kPa	Joback Calculated Property
Inp	[1073.00; 1073.00]
Inp	1073.00		NIST
Inp	1073.00		NIST
Tboil	455.27	K	Relay (1.0) Calculated Property
Tc	665.10	K	Relay (1.0) Calculated Property
Tfus	204.14	K	Relay (1.0) Calculated Property
Vc	0.400	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.79; 272.66]	J/mol×K	[451.36; 666.63]
Cp,gas	213.79	J/mol×K	451.36	Joback Calculated Property
Cp,gas	224.75	J/mol×K	487.24	Joback Calculated Property
Cp,gas	235.26	J/mol×K	523.12	Joback Calculated Property
Cp,gas	245.30	J/mol×K	558.99	Joback Calculated Property
Cp,gas	254.88	J/mol×K	594.87	Joback Calculated Property
Cp,gas	264.00	J/mol×K	630.75	Joback Calculated Property
Cp,gas	272.66	J/mol×K	666.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[342.58; 467.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63168e+01
Coefficient B			-4.38154e+03
Coefficient C			-6.92310e+01
Temperature range, min.			342.58
Temperature range, max.			467.36
Pvap	1.33	kPa	342.58	Calculated Property
Pvap	2.89	kPa	356.44	Calculated Property
Pvap	5.84	kPa	370.31	Calculated Property
Pvap	11.07	kPa	384.17	Calculated Property
Pvap	19.91	kPa	398.04	Calculated Property
Pvap	34.14	kPa	411.90	Calculated Property
Pvap	56.12	kPa	425.77	Calculated Property
Pvap	88.90	kPa	439.63	Calculated Property
Pvap	136.23	kPa	453.50	Calculated Property
Pvap	202.64	kPa	467.36	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-dithiaheptane.

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.