Chemical Properties of Phenoxathiin (CAS 262-20-4)

InChI

InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H

InChI Key

GJSGGHOYGKMUPT-UHFFFAOYSA-N

Formula

C12H8OS

SMILES

c1ccc2c(c1)Oc1ccccc1S2

Molecular Weight¹

200.26

CAS

262-20-4

Other Names

• 1,4-Dibenzothioxine
• Dibenzooxathiane
• Dibenzothioxin
• NSC 464
• Phenothioxin
• Phenoxathiane
• Phenoxathine
• Phenoxathrin
• Phenoxthin
• RJC 03297
• USAF DO-17

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_sub : Sublimation pressure (kPa).
• I_np : Non-polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6498.70 ± 1.40	kJ/mol	NIST
ΔfG°	290.02	kJ/mol	Joback Calculated Property
ΔfH°gas	125.80 ± 1.00	kJ/mol	NIST
ΔfH°solid	31.30 ± 1.70	kJ/mol	NIST
ΔfusH°	19.43	kJ/mol	Vapor P...
ΔvapH°	77.30 ± 0.10	kJ/mol	NIST
IE	[7.60; 7.98]	eV
IE	7.85	eV	NIST
IE	7.98 ± 0.03	eV	NIST
IE	7.60	eV	NIST
IE	7.72 ± 0.05	eV	NIST
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	3.944		Crippen Calculated Property
McVol	143.780	ml/mol	McGowan Calculated Property
Pc	3834.03	kPa	Joback Calculated Property
Inp	1651.00		NIST
S°solid,1 bar	222.66	J/mol×K	NIST
Tboil	619.20	K	Joback Calculated Property
Tc	890.04	K	Joback Calculated Property
Tfus	438.60	K	Joback Calculated Property
Ttriple	328.77 ± 0.00	K	NIST
Vc	0.524	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.49; 393.41]	J/mol×K	[619.20; 890.04]
Cp,gas	330.49	J/mol×K	619.20	Joback Calculated Property
Cp,gas	343.56	J/mol×K	664.34	Joback Calculated Property
Cp,gas	355.38	J/mol×K	709.48	Joback Calculated Property
Cp,gas	366.11	J/mol×K	754.62	Joback Calculated Property
Cp,gas	375.92	J/mol×K	799.76	Joback Calculated Property
Cp,gas	384.97	J/mol×K	844.90	Joback Calculated Property
Cp,gas	393.41	J/mol×K	890.04	Joback Calculated Property
Cp,solid	213.77	J/mol×K	298.15	NIST
ΔfusH	[19.43; 20.27]	kJ/mol	[328.78; 329.60]
ΔfusH	20.27	kJ/mol	328.78	NIST
ΔfusH	20.27	kJ/mol	328.80	NIST
ΔfusH	20.27	kJ/mol	328.80	NIST
ΔfusH	19.43	kJ/mol	329.60	NIST
ΔvapH	[55.10; 68.70]	kJ/mol	[502.50; 502.50]
ΔvapH	68.70	kJ/mol	502.50	NIST
ΔvapH	66.00	kJ/mol	502.50	NIST
ΔvapH	63.40	kJ/mol	502.50	NIST
ΔvapH	60.80	kJ/mol	502.50	NIST
ΔvapH	58.00	kJ/mol	502.50	NIST
ΔvapH	55.10	kJ/mol	502.50	NIST
Psub	[8.61e-05; 9.27e-04]	kPa	[304.20; 324.50]
Psub	8.61e-05	kPa	304.20	Vapor p...
Psub	1.43e-04	kPa	308.70	Vapor p...
Psub	2.09e-04	kPa	311.40	Vapor p...
Psub	2.07e-04	kPa	311.50	Vapor p...
Psub	2.17e-04	kPa	311.90	Vapor p...
Psub	4.53e-04	kPa	318.20	Vapor p...
Psub	7.71e-04	kPa	323.00	Vapor p...
Psub	9.27e-04	kPa	324.50	Vapor p...

Similar Compounds

Find more compounds similar to Phenoxathiin.

Sources

• Crippen Method
• Crippen Method
• Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique
• Vapor Pressures of Solid and Liquid Xanthene and Phenoxathiin from Effusion and Static Studies
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.