Chemical Properties of Chlorprothixene M (nor-), monoacetylated

InChI

InChI=1S/C19H18ClNOS/c1-13(22)21(2)11-5-7-15-16-6-3-4-8-18(16)23-19-10-9-14(20)12-17(15)19/h3-4,6-10,12H,5,11H2,1-2H3/b15-7+

InChI Key

SNMDHCOJSZRJJM-VIZOYTHASA-N

Formula

C19H18ClNOS

SMILES

CC(=O)N(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21

Molecular Weight¹

343.87

• 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	0.6378		Relay (1.0) Calculated Property
ΔfG°	440.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-0.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.84	kJ/mol	Joback Calculated Property
ΔvapH°	123.35	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	5.105		Crippen Calculated Property
McVol	256.030	ml/mol	McGowan Calculated Property
Pc	1992.98	kPa	Joback Calculated Property
Inp	[2945.00; 2945.00]
Inp	2945.00		NIST
Inp	2945.00		NIST
Tboil	721.94	K	Relay (1.0) Calculated Property
Tc	987.05	K	Relay (1.0) Calculated Property
Tfus	404.70	K	Relay (1.0) Calculated Property
Vc	0.893	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.29; 785.17]	J/mol×K	[867.77; 1113.21]
Cp,gas	710.29	J/mol×K	867.77	Joback Calculated Property
Cp,gas	724.03	J/mol×K	908.68	Joback Calculated Property
Cp,gas	737.06	J/mol×K	949.58	Joback Calculated Property
Cp,gas	749.52	J/mol×K	990.49	Joback Calculated Property
Cp,gas	761.58	J/mol×K	1031.40	Joback Calculated Property
Cp,gas	773.41	J/mol×K	1072.31	Joback Calculated Property
Cp,gas	785.17	J/mol×K	1113.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlorprothixene M (nor-), monoacetylated.

Sources

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

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