Chemical Properties of Phenothiazine (CAS 92-84-2)

InChI

InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H

InChI Key

WJFKNYWRSNBZNX-UHFFFAOYSA-N

Formula

C12H9NS

SMILES

c1ccc2c(c1)Nc1ccccc1S2

Molecular Weight¹

199.27

CAS

92-84-2

Other Names

• 10H-Phenothiazin
• 10H-Phenothiazine
• AFI-Tiazin
• Agrazine
• Antiverm
• Biverm
• Contaverm
• Danikoropa
• Dibenzo-1,4-thiazine
• Dibenzo-p-thiazine
• Dibenzoparathiazine
• Dibenzothiazine
• ENT 38
• EPA Pesticide Chemical Code 064501
• Early bird wormer
• Feeno
• Fenothiazine
• Fenotiazina
• Fenoverm
• Fentiazin
• Helmetina
• Lethelmin
• Nemazene
• Nemazine
• Nexarbol
• Orimon
• Padophene
• Penthazine
• Phenegic
• Phenosan
• Phenoverm
• Phenovis
• Phenoxur
• Phenthiazine
• Phenzeen
• Reconox
• Souframine
• Thiodifenylamine
• Thiodiphenylamin
• Thiodiphenylamine
• Tiodifenilamina
• Vermitin
• Wurm-Thional
• XL-50

• 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_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_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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	[-6777.00; -6660.09]	kJ/mol
ΔcH°solid	-6777.00 ± 1.60	kJ/mol	NIST
ΔcH°solid	-6660.09	kJ/mol	NIST
ΔfG°	463.85	kJ/mol	Joback Calculated Property
ΔfH°gas	278.20 ± 1.90	kJ/mol	NIST
ΔfH°solid	[49.71; 166.70]	kJ/mol
ΔfH°solid	166.70 ± 1.90	kJ/mol	NIST
ΔfH°solid	49.71	kJ/mol	NIST
ΔfusH°	26.55	kJ/mol	Joback Calculated Property
ΔsubH°	[111.45; 114.50]	kJ/mol
ΔsubH°	111.45 ± 0.37	kJ/mol	NIST
ΔsubH°	114.50 ± 0.40	kJ/mol	NIST
ΔvapH°	60.80	kJ/mol	Joback Calculated Property
IE	[6.74; 7.70]	eV
IE	6.74 ± 0.07	eV	NIST
IE	6.87	eV	NIST
IE	7.62	eV	NIST
IE	7.70	eV	NIST
IE	6.96 ± 0.19	eV	NIST
IE	7.26 ± 0.08	eV	NIST
log10WS	-5.26		Aq. Sol...
logPoct/wat	3.895		Crippen Calculated Property
McVol	147.890	ml/mol	McGowan Calculated Property
Pc	4000.70	kPa	Joback Calculated Property
Inp	[2010.00; 2030.00]
Inp	2010.00		NIST
Inp	2010.00		NIST
Inp	2010.00		NIST
Inp	2030.00		NIST
Inp	2010.00		NIST
Inp	2024.00		NIST
Inp	2010.00		NIST
Tboil	644.20	K	NIST
Tc	918.16	K	Joback Calculated Property
Tfus	[456.00; 458.90]	K
Tfus	458.90	K	Aq. Sol...
Tfus	458.85	K	Structu...
Tfus	457.90	K	Abraham...
Tfus	Outlier 456.00	K	Solubil...
Tfus	458.39 ± 0.20	K	NIST
Tfus	457.50 ± 0.20	K	NIST
Tfus	458.50 ± 0.20	K	NIST
Tfus	457.55 ± 0.40	K	NIST
Vc	0.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.65; 409.13]	J/mol×K	[640.80; 918.16]
Cp,gas	342.65	J/mol×K	640.80	Joback Calculated Property
Cp,gas	356.29	J/mol×K	687.03	Joback Calculated Property
Cp,gas	368.70	J/mol×K	733.25	Joback Calculated Property
Cp,gas	380.03	J/mol×K	779.48	Joback Calculated Property
Cp,gas	390.44	J/mol×K	825.71	Joback Calculated Property
Cp,gas	400.08	J/mol×K	871.93	Joback Calculated Property
Cp,gas	409.13	J/mol×K	918.16	Joback Calculated Property
ΔfusH	[25.66; 28.40]	kJ/mol	[457.20; 458.40]
ΔfusH	28.40	kJ/mol	457.20	NIST
ΔfusH	26.92	kJ/mol	458.20	NIST
ΔfusH	26.92	kJ/mol	458.20	NIST
ΔfusH	25.66	kJ/mol	458.40	NIST
ΔfusH	25.70	kJ/mol	458.40	NIST
ΔsubH	86.00	kJ/mol	365.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[507.27; 673.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.06683e+01
Coefficient B			-1.03386e+04
Temperature range, min.			507.27
Temperature range, max.			673.22
Pvap	1.33	kPa	507.27	Calculated Property
Pvap	2.72	kPa	525.71	Calculated Property
Pvap	5.31	kPa	544.15	Calculated Property
Pvap	9.89	kPa	562.59	Calculated Property
Pvap	17.72	kPa	581.03	Calculated Property
Pvap	30.63	kPa	599.46	Calculated Property
Pvap	51.24	kPa	617.90	Calculated Property
Pvap	83.21	kPa	636.34	Calculated Property
Pvap	131.49	kPa	654.78	Calculated Property
Pvap	202.63	kPa	673.22	Calculated Property

Similar Compounds

Find more compounds similar to Phenothiazine.

Mixtures

• Acetic acid, pentyl ester + Phenothiazine
• Ethanol + Phenothiazine
• Propylene Glycol + Phenothiazine
• Phenothiazine + Water
• Propylene Glycol + Ethanol + Phenothiazine
• Ethanol + Phenothiazine + Water
• Propylene Glycol + Phenothiazine + Water

Sources

• Crippen Method
• Structural, energetic and reactivity properties of phenoxazine and phenothiazine
• Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
• Solubility of Phenothiazine in Water, Ethanol, and Propylene Glycol at (298.2 to 338.2) K and Their Binary and Ternary Mixtures at 298.2 K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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