Chemical Properties of 1,3-Dithiolane (CAS 4829-04-3)

InChI

InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2

InChI Key

IMLSAISZLJGWPP-UHFFFAOYSA-N

Formula

C3H6S2

SMILES

C1CSCS1

Molecular Weight¹

106.21

CAS

4829-04-3

Other Names

• 1,3-Dithiacyclopentane

• 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).
• 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°	98.36	kJ/mol	Joback Calculated Property
ΔfH°gas	66.09	kJ/mol	Joback Calculated Property
ΔfusH°	3.70	kJ/mol	Joback Calculated Property
ΔvapH°	34.46	kJ/mol	Joback Calculated Property
IE	[8.75; 9.00]	eV
IE	9.00 ± 0.05	eV	NIST
IE	8.77	eV	NIST
IE	8.75	eV	NIST
log10WS	-1.24		Crippen Calculated Property
logPoct/wat	1.424		Crippen Calculated Property
McVol	74.970	ml/mol	McGowan Calculated Property
Pc	5871.90	kPa	Joback Calculated Property
Inp	[978.00; 1036.00]
Inp	Outlier 978.00		NIST
Inp	994.00		NIST
Inp	1018.00		NIST
Inp	1036.00		NIST
Inp	1013.00		NIST
Inp	1006.00		NIST
Inp	1014.00		NIST
Inp	1014.00		NIST
Inp	1006.00		NIST
Tboil	448.20	K	NIST
Tc	623.34	K	Joback Calculated Property
Tfus	305.61	K	Joback Calculated Property
Vc	0.237	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.20; 160.85]	J/mol×K	[383.65; 623.34]
Cp,gas	113.20	J/mol×K	383.65	Joback Calculated Property
Cp,gas	122.76	J/mol×K	423.60	Joback Calculated Property
Cp,gas	131.61	J/mol×K	463.55	Joback Calculated Property
Cp,gas	139.81	J/mol×K	503.50	Joback Calculated Property
Cp,gas	147.38	J/mol×K	543.44	Joback Calculated Property
Cp,gas	154.38	J/mol×K	583.39	Joback Calculated Property
Cp,gas	160.85	J/mol×K	623.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dithiolane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.