Chemical Properties of risperidone

InChI

InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3

InChI Key

RAPZEAPATHNIPO-UHFFFAOYSA-N

Formula

C23H27FN4O2

SMILES

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2

Molecular Weight¹

410.49

Other Names

• 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

• ω : Acentric Factor.
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• 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	0.9047		Relay (1.0) Calculated Property
ΔfG°	258.19	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-208.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[41.87; 43.94]	kJ/mol
ΔfusH°	43.94	kJ/mol	Thermodynamics of risperidone and solubility in pure organic solvents
ΔfusH°	41.87	kJ/mol	Risperidone Solid-state characterization and pharmaceuticalcompatibility using thermal and non-thermal techniques
ΔvapH°	149.46	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-3.52		Relay (1.0) Calculated Property
logPoct/wat	3.590		Crippen Calculated Property
McVol	303.960	ml/mol	McGowan Calculated Property
Pc	1022.19	kPa	Relay (1.0-beta) Calculated Property
Tboil	773.42	K	Relay (1.0) Calculated Property
Tc	1092.63	K	Relay (1.0) Calculated Property
Tfus	[442.38; 443.67]	K
Tfus	442.38	K	Thermodynamics of risperidone and solubility in pure organic solvents
Tfus	443.67	K	Risperidone Solid-state characterization and pharmaceuticalcompatibility using thermal and non-thermal techniques
Vc	1.168	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[839.00; 856.00]	J/mol×K	[430.10; 453.00]
Cp,liquid	839.00	J/mol×K	430.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,liquid	842.00	J/mol×K	434.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,liquid	845.00	J/mol×K	440.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,liquid	850.00	J/mol×K	445.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,liquid	854.00	J/mol×K	449.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,liquid	856.00	J/mol×K	453.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	[471.00; 647.00]	J/mol×K	[270.10; 409.90]
Cp,solid	471.00	J/mol×K	270.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	476.00	J/mol×K	275.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	480.00	J/mol×K	280.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	483.00	J/mol×K	284.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	489.00	J/mol×K	290.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	495.00	J/mol×K	294.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	502.00	J/mol×K	300.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	509.00	J/mol×K	304.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	516.00	J/mol×K	310.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	523.00	J/mol×K	314.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	530.00	J/mol×K	320.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	537.00	J/mol×K	324.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	544.00	J/mol×K	330.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	551.00	J/mol×K	334.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	558.00	J/mol×K	340.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	564.00	J/mol×K	345.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	571.00	J/mol×K	350.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	578.00	J/mol×K	355.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	583.00	J/mol×K	359.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	590.00	J/mol×K	365.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	597.00	J/mol×K	370.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	602.00	J/mol×K	375.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	609.00	J/mol×K	380.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	615.00	J/mol×K	384.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	621.00	J/mol×K	390.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	627.00	J/mol×K	394.90	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	634.00	J/mol×K	400.00	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	641.00	J/mol×K	405.10	Thermodynamics of risperidone and solubility in pure organic solvents
Cp,solid	647.00	J/mol×K	409.90	Thermodynamics of risperidone and solubility in pure organic solvents

Similar Compounds

Find more compounds similar to risperidone.

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
• Thermodynamics of risperidone and solubility in pure organic solvents
• Risperidone Solid-state characterization and pharmaceuticalcompatibility using thermal and non-thermal techniques
• McGowan Method

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