Chemical Properties of Tiapride (CAS 51012-32-9)

InChI

InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)

InChI Key

JTVPZMFULRWINT-UHFFFAOYSA-N

Formula

C15H24N2O4S

SMILES

CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC

Molecular Weight¹

328.43

CAS

51012-32-9

• 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°	-333.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.49	kJ/mol	Joback Calculated Property
ΔfusH°	50.15	kJ/mol	Joback Calculated Property
ΔvapH°	88.85	kJ/mol	Joback Calculated Property
log10WS	-2.29		Crippen Calculated Property
logPoct/wat	1.170		Crippen Calculated Property
McVol	253.940	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback Calculated Property
Inp	[2850.00; 2850.00]
Inp	2850.00		NIST
Inp	2850.00		NIST
Tboil	765.92	K	Joback Calculated Property
Tc	961.20	K	Joback Calculated Property
Tfus	506.12	K	Joback Calculated Property
Vc	0.971	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.43; 809.67]	J/mol×K	[765.92; 961.20]
Cp,gas	734.43	J/mol×K	765.92	Joback Calculated Property
Cp,gas	749.59	J/mol×K	798.47	Joback Calculated Property
Cp,gas	763.68	J/mol×K	831.01	Joback Calculated Property
Cp,gas	776.72	J/mol×K	863.56	Joback Calculated Property
Cp,gas	788.72	J/mol×K	896.10	Joback Calculated Property
Cp,gas	799.70	J/mol×K	928.65	Joback Calculated Property
Cp,gas	809.67	J/mol×K	961.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tiapride.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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