Chemical Properties of Zotepine-M (nor-/bis-nor-) HYAC

InChI

InChI=1S/C16H11ClO3S/c1-9(18)20-12-3-5-15-10(6-12)7-14(19)13-8-11(17)2-4-16(13)21-15/h2-6,8H,7H2,1H3

InChI Key

QTSRSLWUVSULNG-UHFFFAOYSA-N

Formula

C16H11ClO3S

SMILES

CC(=O)Oc1ccc2c(c1)CC(=O)c1cc(Cl)ccc1S2

Molecular Weight¹

318.77

• 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).
• 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
ΔfG°	10.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-206.23	kJ/mol	Joback Calculated Property
ΔfusH°	30.94	kJ/mol	Joback Calculated Property
ΔvapH°	82.23	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	4.155		Crippen Calculated Property
McVol	215.520	ml/mol	McGowan Calculated Property
Pc	2627.15	kPa	Joback Calculated Property
Inp	[2440.00; 2440.00]
Inp	2440.00		NIST
Inp	2440.00		NIST
Tboil	879.54	K	Joback Calculated Property
Tc	1149.86	K	Joback Calculated Property
Tfus	648.93	K	Joback Calculated Property
Vc	0.799	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.43; 633.91]	J/mol×K	[879.54; 1149.86]
Cp,gas	581.43	J/mol×K	879.54	Joback Calculated Property
Cp,gas	593.11	J/mol×K	924.59	Joback Calculated Property
Cp,gas	603.54	J/mol×K	969.65	Joback Calculated Property
Cp,gas	612.79	J/mol×K	1014.70	Joback Calculated Property
Cp,gas	620.89	J/mol×K	1059.75	Joback Calculated Property
Cp,gas	627.91	J/mol×K	1104.80	Joback Calculated Property
Cp,gas	633.91	J/mol×K	1149.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Zotepine-M (nor-/bis-nor-) HYAC.

Sources

• 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.