Chemical Properties of Acetamide, N-(3-chlorophenyl)-2-phenylthio-

InChI

InChI=1S/C14H12ClNOS/c15-11-5-4-6-12(9-11)16-14(17)10-18-13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)

InChI Key

OTOSJZUVCFFPHN-UHFFFAOYSA-N

Formula

C14H12ClNOS

SMILES

O=C(CSc1ccccc1)Nc1cccc(Cl)c1

Molecular Weight¹

277.77

• 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	0.5806		Relay (1.0) Calculated Property
ΔfG°	263.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.73	kJ/mol	Joback Calculated Property
ΔvapH°	101.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	4.071		Crippen Calculated Property
McVol	200.740	ml/mol	McGowan Calculated Property
Pc	2893.62	kPa	Joback Calculated Property
Inp	[2368.00; 2368.00]
Inp	2368.00		NIST
Inp	2368.00		NIST
Tboil	645.87	K	Relay (1.0) Calculated Property
Tc	952.15	K	Relay (1.0) Calculated Property
Tfus	383.20	K	Relay (1.0) Calculated Property
Vc	0.690	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.00; 570.30]	J/mol×K	[788.31; 1050.02]
Cp,gas	513.00	J/mol×K	788.31	Joback Calculated Property
Cp,gas	525.45	J/mol×K	831.93	Joback Calculated Property
Cp,gas	536.63	J/mol×K	875.55	Joback Calculated Property
Cp,gas	546.62	J/mol×K	919.16	Joback Calculated Property
Cp,gas	555.51	J/mol×K	962.78	Joback Calculated Property
Cp,gas	563.37	J/mol×K	1006.40	Joback Calculated Property
Cp,gas	570.30	J/mol×K	1050.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-(3-chlorophenyl)-2-phenylthio-.

Sources

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

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