Chemical Properties of Phenoxathiin, 2-chloro- (CAS 10230-34-9)

InChI

InChI=1S/C12H7ClOS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7H

InChI Key

QQGJRVZIBGEUGZ-UHFFFAOYSA-N

Formula

C12H7ClOS

SMILES

Clc1ccc2c(c1)Sc1ccccc1O2

Molecular Weight¹

234.70

CAS

10230-34-9

Other Names

• 2-Chlorophenoxathiin

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[187.68; 417.67]	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			-3.19600e+01
Coefficient B			1.01271e+00
Coefficient C			-8.37480e-04
Coefficient D			2.74400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.68	J/mol×K	273.00	Calculated Property
Cp,gas	233.65	J/mol×K	353.78	Calculated Property
Cp,gas	272.49	J/mol×K	434.56	Calculated Property
Cp,gas	305.07	J/mol×K	515.33	Calculated Property
Cp,gas	332.26	J/mol×K	596.11	Calculated Property
Cp,gas	354.92	J/mol×K	676.89	Calculated Property
Cp,gas	373.92	J/mol×K	757.67	Calculated Property
Cp,gas	390.14	J/mol×K	838.44	Calculated Property
Cp,gas	404.43	J/mol×K	919.22	Calculated Property
Cp,gas	417.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenoxathiin, 2-chloro-.

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
• Crippen Method
• 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.
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