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]
T(K) Ideal gas heat capacity (J/mol×K) 330 340 350 360 370 380 390 700 800
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]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 55 60 65 70
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]
T(K) Sublimation pressure (kPa) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 305 310 315 320
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

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