Chemical Properties of Fentiazac (CAS 18046-21-4)

InChI

InChI=1S/C17H14ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9,14,17H,10H2,(H,20,21)

InChI Key

YPGAFANIBNLVJH-UHFFFAOYSA-N

Formula

C17H14ClNO2S

SMILES

O=C(O)CC1SC(c2ccccc2)N=C1c1ccc(Cl)cc1

Molecular Weight¹

331.82

CAS

18046-21-4

• 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	0.7101		Relay (1.0) Calculated Property
ΔfG°	235.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-129.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.00	kJ/mol	Joback Calculated Property
ΔvapH°	144.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-3.52		Relay (1.0) Calculated Property
logPoct/wat	4.418		Crippen Calculated Property
McVol	233.720	ml/mol	McGowan Calculated Property
Pc	2707.03	kPa	Joback Calculated Property
Inp	[2438.00; 2438.00]
Inp	2438.00		NIST
Inp	2438.00		NIST
Tboil	668.68	K	Relay (1.0) Calculated Property
Tc	1007.75	K	Relay (1.0) Calculated Property
Tfus	433.22	K	Relay (1.0) Calculated Property
Vc	0.785	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.99; 739.72]	J/mol×K	[946.46; 1203.98]
Cp,gas	695.99	J/mol×K	946.46	Joback Calculated Property
Cp,gas	706.46	J/mol×K	989.38	Joback Calculated Property
Cp,gas	715.55	J/mol×K	1032.30	Joback Calculated Property
Cp,gas	723.34	J/mol×K	1075.22	Joback Calculated Property
Cp,gas	729.92	J/mol×K	1118.14	Joback Calculated Property
Cp,gas	735.35	J/mol×K	1161.06	Joback Calculated Property
Cp,gas	739.72	J/mol×K	1203.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fentiazac.

Sources

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

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