Chemical Properties of Thioxanthone (CAS 492-22-8)

InChI

InChI=1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H

InChI Key

YRHRIQCWCFGUEQ-UHFFFAOYSA-N

Formula

C13H8OS

SMILES

O=c1c2ccccc2sc2ccccc12

Molecular Weight¹

212.27

CAS

492-22-8

Other Names

• 10-Thioxanthone
• 9-Thioxanthone
• 9H-Thioxanthen-9-one
• 9H-Thioxanthene, 9-oxo-
• NSC 15912
• NSC 658181
• Thiaxanthenone
• Thiaxanthon
• Thiaxanthone
• Thioxanthen-9-one
• Thioxanthene, 9-oxo-
• Thioxanthene-9-one
• Thioxanthenone

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_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_boilr : Boiling point at reduced pressure (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
ω	0.4934		Relay (1.0) Calculated Property
ΔcH°solid	-6840.50 ± 3.50	kJ/mol	NIST
ΔfG°	134.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	94.30 ± 3.60	kJ/mol	NIST
ΔfH°solid	-20.50 ± 3.60	kJ/mol	NIST
ΔfusH°	28.40	kJ/mol	Thermodynamic Study on the Sublimation of Anthracene-Like Compounds
ΔsubH°	[114.80; 114.81]	kJ/mol
ΔsubH°	114.81 ± 0.41	kJ/mol	NIST
ΔsubH°	114.80 ± 0.40	kJ/mol	NIST
ΔvapH°	99.28	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Aq. Solubility Prediction
logPoct/wat	3.415		Crippen Calculated Property
McVol	153.570	ml/mol	McGowan Calculated Property
Pc	3429.94	kPa	Relay (1.0-beta) Calculated Property
Inp	[346.20; 2049.00]
Inp	2049.00		NIST
Inp	346.20		NIST
Tboil	657.01	K	Relay (1.0) Calculated Property
Tc	930.66	K	Relay (1.0) Calculated Property
Tfus	[482.00; 487.88]	K
Tfus	482.00	K	Solubilities of Some Thioxanthone Derivatives in Supercritical CO2
Tfus	487.88 ± 0.02	K	NIST
Vc	0.551	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[35.50; 35.50]	kJ/mol	[487.88; 487.90]
ΔfusH	35.50	kJ/mol	487.88	NIST
ΔfusH	35.50	kJ/mol	487.90	NIST
ΔfusH	35.50	kJ/mol	487.90	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Thioxanthone.

Mixtures

• Carbon dioxide + Thioxanthone
• Thioxanthone + Water

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Solubilities of Some Thioxanthone Derivatives in Supercritical CO2
• Thermodynamic Study on the Sublimation of Anthracene-Like Compounds
• Solubilities of Oxygenated Aromatic Solids in Pressurized Hot Water
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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