Chemical Properties of Thioxanthene (CAS 261-31-4)

InChI

InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2

InChI Key

PQJUJGAVDBINPI-UHFFFAOYSA-N

Formula

C13H10S

SMILES

c1ccc2c(c1)Cc1ccccc1S2

Molecular Weight¹

198.28

CAS

261-31-4

Other Names

• 9H-Thioxanthene
• Dibenzothiapyran
• Thiaxanthen
• Thiaxanthene
• Thioxanthen
• 10H-dibenzo[b,e]thiin

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔfG°	384.56	kJ/mol	Joback Calculated Property
ΔfH°gas	283.03	kJ/mol	Joback Calculated Property
ΔfusH°	19.55	kJ/mol	Joback Calculated Property
ΔsubH°	[100.90; 101.70]	kJ/mol
ΔsubH°	101.70 ± 1.60	kJ/mol	NIST
ΔsubH°	100.90 ± 0.20	kJ/mol	NIST
ΔvapH°	77.80 ± 2.60	kJ/mol	NIST
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.742		Crippen Calculated Property
McVol	152.000	ml/mol	McGowan Calculated Property
Pc	3452.08	kPa	Joback Calculated Property
Tboil	615.13	K	Joback Calculated Property
Tc	884.01	K	Joback Calculated Property
Tfus	401.70 ± 0.10	K	NIST
Vc	0.559	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.25; 421.57]	J/mol×K	[615.13; 884.01]
Cp,gas	350.25	J/mol×K	615.13	Joback Calculated Property
Cp,gas	364.96	J/mol×K	659.94	Joback Calculated Property
Cp,gas	378.32	J/mol×K	704.76	Joback Calculated Property
Cp,gas	390.49	J/mol×K	749.57	Joback Calculated Property
Cp,gas	401.65	J/mol×K	794.38	Joback Calculated Property
Cp,gas	411.95	J/mol×K	839.20	Joback Calculated Property
Cp,gas	421.57	J/mol×K	884.01	Joback Calculated Property
ΔfusH	26.10	kJ/mol	401.80	NIST
ΔsubH	98.40 ± 0.20	kJ/mol	370.50	NIST
ΔvapH	69.50 ± 0.20	kJ/mol	415.00	NIST

Similar Compounds

Find more compounds similar to Thioxanthene.

Sources

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

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