Chemical Properties of Acetamide, N-(2-iodo-4-methylphenyl)-2-phenylthio-

InChI

InChI=1S/C15H14INOS/c1-11-7-8-14(13(16)9-11)17-15(18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)

InChI Key

MNHFJTCEGYXIOL-UHFFFAOYSA-N

Formula

C15H14INOS

SMILES

Cc1ccc(N=C(O)CSc2ccccc2)c(I)c1

Molecular Weight¹

383.25

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.7319		Relay (1.0) Calculated Property
ΔfG°	212.44	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	88.14	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.90	kJ/mol	Relay (1.0) Calculated Property
IE	7.81	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.980		Crippen Calculated Property
McVol	228.410	ml/mol	McGowan Calculated Property
Pc	2405.28	kPa	Joback Calculated Property
Inp	[2730.00; 2730.00]
Inp	2730.00		NIST
Inp	2730.00		NIST
Tboil	678.47	K	Relay (1.0) Calculated Property
Tc	975.38	K	Relay (1.0) Calculated Property
Tfus	392.03	K	Relay (1.0) Calculated Property
Vc	0.755	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-(2-iodo-4-methylphenyl)-2-phenylthio-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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