Chemical Properties of 10H-Phenothiazine, 2-chloro- (CAS 92-39-7)

InChI

InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H

InChI Key

KFZGLJSYQXZIGP-UHFFFAOYSA-N

Formula

C12H8ClNS

SMILES

Clc1ccc2c(c1)Nc1ccccc1S2

Molecular Weight¹

233.72

CAS

92-39-7

Other Names

• 2-chloro-10H-phenothiazine
• 2-chlorophenothiazine
• Chlorpromazine M (ring)
• Phenothiazine, 2-chloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	222.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.36	kJ/mol	Joback Calculated Property
IE	7.32	eV	Relay (1.0) Calculated Property
log10WS	-5.86		Relay (1.0) Calculated Property
logPoct/wat	4.548		Crippen Calculated Property
McVol	160.130	ml/mol	McGowan Calculated Property
Inp	[2099.00; 2099.00]
Inp	2099.00		NIST
Inp	2099.00		NIST
Inp	2099.00		NIST
Inp	2099.00		NIST
Tboil	655.35	K	Relay (1.0) Calculated Property
Tfus	[472.95; 473.15]	K
Tfus	472.95	K	Solubility determination and thermodynamic functions of 2-chlorophenothiazine in nine organic solvents from T = 283.15 K to T = 318.15 K and mixing properties of solutions
Tfus	473.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.43; 429.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.23600e+01
Coefficient B			1.00231e+00
Coefficient C			-7.90780e-04
Coefficient D			2.50200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.43	J/mol×K	273.00	Calculated Property
Cp,gas	234.34	J/mol×K	353.78	Calculated Property
Cp,gas	274.40	J/mol×K	434.56	Calculated Property
Cp,gas	308.40	J/mol×K	515.33	Calculated Property
Cp,gas	337.12	J/mol×K	596.11	Calculated Property
Cp,gas	361.37	J/mol×K	676.89	Calculated Property
Cp,gas	381.93	J/mol×K	757.67	Calculated Property
Cp,gas	399.58	J/mol×K	838.44	Calculated Property
Cp,gas	415.13	J/mol×K	919.22	Calculated Property
Cp,gas	429.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 10H-Phenothiazine, 2-chloro-.

Mixtures

• Methyl Alcohol + 10H-Phenothiazine, 2-chloro-
• Ethanol + 10H-Phenothiazine, 2-chloro-
• Acetonitrile + 10H-Phenothiazine, 2-chloro-
• 1-Propanol + 10H-Phenothiazine, 2-chloro-
• 2-Propanol + 10H-Phenothiazine, 2-chloro-
• Acetone + 10H-Phenothiazine, 2-chloro-
• Ethyl Acetate + 10H-Phenothiazine, 2-chloro-
• 1-Butanol + 10H-Phenothiazine, 2-chloro-
• 2-Butanone + 10H-Phenothiazine, 2-chloro-

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Crippen Method
• Solubility determination and thermodynamic functions of 2-chlorophenothiazine in nine organic solvents from T = 283.15 K to T = 318.15 K and mixing properties of solutions
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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