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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.23	kJ/mol	Joback Calculated Property
IE	7.10	eV	Relay (1.0) Calculated Property
logPoct/wat	4.791		Crippen Calculated Property
McVol	245.270	ml/mol	McGowan Calculated Property
Inp	[2735.00; 2735.00]
Inp	2735.00		NIST
Inp	2735.00		NIST
Inp	2735.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[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)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.