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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.99; 407.26]	J/mol×K	[661.81; 936.11]
Cp,gas	350.99	J/mol×K	661.81	Joback Calculated Property
Cp,gas	362.51	J/mol×K	707.53	Joback Calculated Property
Cp,gas	372.96	J/mol×K	753.24	Joback Calculated Property
Cp,gas	382.51	J/mol×K	798.96	Joback Calculated Property
Cp,gas	391.30	J/mol×K	844.68	Joback Calculated Property
Cp,gas	399.50	J/mol×K	890.39	Joback Calculated Property
Cp,gas	407.26	J/mol×K	936.11	Joback 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

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