Chemical Properties of Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-

InChI

InChI=1S/C14H21NOS/c1-3-5-11-15(4-2)14(16)12-17-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3

InChI Key

QISXQGYHBQANEF-UHFFFAOYSA-N

Formula

C14H21NOS

SMILES

CCCCN(CC)C(=O)CSc1ccccc1

Molecular Weight¹

251.39

• 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	0.5840		Relay (1.0) Calculated Property
ΔfG°	194.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-178.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.81	kJ/mol	Joback Calculated Property
ΔvapH°	79.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Relay (1.0) Calculated Property
logPoct/wat	3.427		Crippen Calculated Property
McVol	212.260	ml/mol	McGowan Calculated Property
Pc	2157.31	kPa	Joback Calculated Property
Inp	[1791.00; 1791.00]
Inp	1791.00		NIST
Inp	1791.00		NIST
Tboil	608.28	K	Relay (1.0) Calculated Property
Tc	805.30	K	Relay (1.0) Calculated Property
Tfus	294.96	K	Relay (1.0) Calculated Property
Vc	0.751	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.70; 648.15]	J/mol×K	[681.49; 896.34]
Cp,gas	564.70	J/mol×K	681.49	Joback Calculated Property
Cp,gas	581.21	J/mol×K	717.30	Joback Calculated Property
Cp,gas	596.61	J/mol×K	753.11	Joback Calculated Property
Cp,gas	610.96	J/mol×K	788.91	Joback Calculated Property
Cp,gas	624.29	J/mol×K	824.72	Joback Calculated Property
Cp,gas	636.68	J/mol×K	860.53	Joback Calculated Property
Cp,gas	648.15	J/mol×K	896.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-.

Sources

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

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