Chemical Properties of 1,2-Benzenedithiol (CAS 17534-15-5)

InChI

InChI=1S/C6H6S2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

InChI Key

JRNVQLOKVMWBFR-UHFFFAOYSA-N

Formula

C6H6S2

SMILES

Sc1ccccc1S

Molecular Weight¹

142.24

CAS

17534-15-5

Other Names

• Benzene-1,2-dithiol

• ω : Acentric Factor.
• 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).
• 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_boilr : Boiling point at reduced pressure (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
ω	0.3378		Relay (1.0) Calculated Property
ΔfH°gas	107.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.03	kJ/mol	Joback Calculated Property
ΔvapH°	68.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-2.92		Relay (1.0) Calculated Property
logPoct/wat	2.264		Crippen Calculated Property
McVol	104.340	ml/mol	McGowan Calculated Property
Pc	5486.97	kPa	Joback Calculated Property
Tboil	[511.50; 511.70]	K
Tboil	511.70	K	NIST
Tboil	511.50 ± 0.50	K	NIST
Tc	747.61	K	Relay (1.0) Calculated Property
Tfus	300.50 ± 0.50	K	NIST

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.38; 232.60]	J/mol×K	[494.26; 766.69]
Cp,gas	182.38	J/mol×K	494.26	Joback Calculated Property
Cp,gas	192.62	J/mol×K	539.67	Joback Calculated Property
Cp,gas	202.07	J/mol×K	585.07	Joback Calculated Property
Cp,gas	210.74	J/mol×K	630.48	Joback Calculated Property
Cp,gas	218.70	J/mol×K	675.88	Joback Calculated Property
Cp,gas	225.97	J/mol×K	721.29	Joback Calculated Property
Cp,gas	232.60	J/mol×K	766.69	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[333.50; 393.20]	K	[0.01; 2.30]
Tboilr	333.50 ± 0.50	K	0.01	NIST
Tboilr	393.20	K	2.30	NIST

Similar Compounds

Find more compounds similar to 1,2-Benzenedithiol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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