Chemical Properties of 1,3-Dithiane-2-thione (CAS 1748-15-8)

InChI

InChI=1S/C4H6S3/c5-4-6-2-1-3-7-4/h1-3H2

InChI Key

BVNLWJVULAZODX-UHFFFAOYSA-N

Formula

C4H6S3

SMILES

S=C1SCCCS1

Molecular Weight¹

150.28

CAS

1748-15-8

Other Names

• 1,3-Dithian-2-thione
• m-Dithiane-2-thione
• Carbonic acid, trithio-, cyclic trimethylene ester
• Trimethylene trithiocarbonate
• 1,3-Dithiacyclohexane-2-thione
• 1,3-Propanedithiol, cyclic carbonotrithioate
• 1,3-Propanedithiol, cyclic trithioacrbonate

• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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
ΔcH°gas	-4224.60 ± 0.40	kJ/mol	NIST
ΔfG°	185.53	kJ/mol	Joback Calculated Property
ΔfH°gas	77.50 ± 2.70	kJ/mol	NIST
ΔfusH°	10.23	kJ/mol	Joback Calculated Property
ΔsubH°	91.40 ± 2.50	kJ/mol	NIST
ΔvapH°	91.00 ± 3.00	kJ/mol	NIST
IE	[8.20; 8.40]	eV
IE	8.20	eV	NIST
IE	8.40	eV	NIST
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	2.141		Crippen Calculated Property
McVol	101.110	ml/mol	McGowan Calculated Property
Pc	5809.41	kPa	Joback Calculated Property
Tboil	483.44	K	Joback Calculated Property
Tc	757.39	K	Joback Calculated Property
Tfus	377.03	K	Joback Calculated Property
Vc	0.324	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.99; 221.85]	J/mol×K	[483.44; 757.39]
Cp,gas	173.99	J/mol×K	483.44	Joback Calculated Property
Cp,gas	184.01	J/mol×K	529.10	Joback Calculated Property
Cp,gas	193.10	J/mol×K	574.76	Joback Calculated Property
Cp,gas	201.34	J/mol×K	620.41	Joback Calculated Property
Cp,gas	208.82	J/mol×K	666.07	Joback Calculated Property
Cp,gas	215.63	J/mol×K	711.73	Joback Calculated Property
Cp,gas	221.85	J/mol×K	757.39	Joback Calculated Property
ΔsubH	88.60	kJ/mol	334.50	NIST

Similar Compounds

Find more compounds similar to 1,3-Dithiane-2-thione.

Sources

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

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