Chemical Properties of 3,6-Diphenyl-1,2-dithiin (CAS 16212-85-4)

InChI

InChI=1S/C16H12S2/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14/h1-12H

InChI Key

TWFJKRAZUIJOSQ-UHFFFAOYSA-N

Formula

C16H12S2

SMILES

C1=C(c2ccccc2)SSC(c2ccccc2)=C1

Molecular Weight¹

268.40

CAS

16212-85-4

• Δ_cH°_solid : Standard solid 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).
• 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°solid	-9455.00	kJ/mol	NIST
ΔfG°	461.20	kJ/mol	Joback Calculated Property
ΔfH°gas	422.40 ± 3.60	kJ/mol	NIST
ΔfusH°	25.02	kJ/mol	Joback Calculated Property
ΔsubH°	[183.10; 183.10]	kJ/mol
ΔsubH°	183.10 ± 2.50	kJ/mol	NIST
ΔsubH°	183.10 ± 2.50	kJ/mol	NIST
ΔvapH°	70.03	kJ/mol	Joback Calculated Property
log10WS	-6.41		Crippen Calculated Property
logPoct/wat	5.464		Crippen Calculated Property
McVol	202.020	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Tboil	747.00	K	Joback Calculated Property
Tc	1048.55	K	Joback Calculated Property
Tfus	528.00	K	Joback Calculated Property
Vc	0.714	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.76; 579.34]	J/mol×K	[747.00; 1048.55]
Cp,gas	503.76	J/mol×K	747.00	Joback Calculated Property
Cp,gas	520.02	J/mol×K	797.26	Joback Calculated Property
Cp,gas	534.57	J/mol×K	847.52	Joback Calculated Property
Cp,gas	547.59	J/mol×K	897.77	Joback Calculated Property
Cp,gas	559.27	J/mol×K	948.03	Joback Calculated Property
Cp,gas	569.79	J/mol×K	998.29	Joback Calculated Property
Cp,gas	579.34	J/mol×K	1048.55	Joback Calculated Property
ΔsubH	174.50 ± 2.50	kJ/mol	355.00	NIST

Similar Compounds

Find more compounds similar to 3,6-Diphenyl-1,2-dithiin.

Sources

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

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