Chemical Properties of Zotepine-M (HO-) HY2AC

InChI

InChI=1S/C18H13ClO4S/c1-10(20)22-14-4-6-17-12(7-14)8-16(23-11(2)21)15-9-13(19)3-5-18(15)24-17/h3-9H,1-2H3

InChI Key

JYXXABFVOOESDD-UHFFFAOYSA-N

Formula

C18H13ClO4S

SMILES

CC(=O)OC1=Cc2cc(OC(C)=O)ccc2Sc2ccc(Cl)cc21

Molecular Weight¹

360.81

• ω : Acentric Factor.
• 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_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).
• P_c : Critical 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
ω	0.7316		Relay (... Calculated Property
ΔfG°	-64.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.72	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.23	kJ/mol	Joback Calculated Property
ΔvapH°	119.55	kJ/mol	Relay (... Calculated Property
IE	7.10	eV	Relay (... Calculated Property
log10WS	-6.08		Relay (... Calculated Property
logPoct/wat	4.791		Crippen Calculated Property
McVol	245.270	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[2735.00; 2735.00]
Inp	2735.00		NIST
Inp	2735.00		NIST
Inp	2735.00		NIST
Tboil	715.06	K	Relay (... Calculated Property
Tc	986.00	K	Relay (... Calculated Property
Tfus	402.87	K	Relay (... Calculated Property
Vc	0.856	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.24; 721.01]	J/mol×K	[937.91; 1192.89]
Cp,gas	672.24	J/mol×K	937.91	Joback Calculated Property
Cp,gas	682.67	J/mol×K	980.41	Joback Calculated Property
Cp,gas	692.08	J/mol×K	1022.90	Joback Calculated Property
Cp,gas	700.55	J/mol×K	1065.40	Joback Calculated Property
Cp,gas	708.15	J/mol×K	1107.90	Joback Calculated Property
Cp,gas	714.95	J/mol×K	1150.39	Joback Calculated Property
Cp,gas	721.01	J/mol×K	1192.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Zotepine-M (HO-) HY2AC.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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