Chemical Properties of Thiourea, N-methyl-N'-phenyl- (CAS 2724-69-8)

InChI

InChI=1S/C8H10N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)

InChI Key

IGEQFPWPMCIYDF-UHFFFAOYSA-N

Formula

C8H10N2S

SMILES

CNC(=S)Nc1ccccc1

Molecular Weight¹

166.24

CAS

2724-69-8

Other Names

• Urea, 1-methyl-3-phenyl-2-thio-
• N-Methyl-N'-phenylthiourea
• 1-Methyl-3-phenylthiocarbamide
• 1-Methyl-3-phenylthiourea
• 1-Phenyl-3-methylthiourea
• 1-Methyl-3-phenyl-2-thiourea

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5141		Relay (1.0) Calculated Property
ΔfG°	424.73	kJ/mol	Joback Calculated Property
ΔfH°gas	134.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.32	kJ/mol	Joback Calculated Property
ΔvapH°	84.72	kJ/mol	Relay (1.0) Calculated Property
IE	[8.00; 8.05]	eV
IE	8.00	eV	NIST
IE	8.05 ± 0.05	eV	NIST
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	1.603		Crippen Calculated Property
McVol	131.830	ml/mol	McGowan Calculated Property
Pc	4233.04	kPa	Joback Calculated Property
Tboil	550.74	K	Relay (1.0) Calculated Property
Tc	855.47	K	Relay (1.0) Calculated Property
Tfus	391.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.44; 382.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.83000e+01
Coefficient B			9.44710e-01
Coefficient C			-7.51200e-04
Coefficient D			2.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.44	J/mol×K	273.00	Calculated Property
Cp,gas	202.39	J/mol×K	353.78	Calculated Property
Cp,gas	239.82	J/mol×K	434.56	Calculated Property
Cp,gas	271.48	J/mol×K	515.33	Calculated Property
Cp,gas	298.12	J/mol×K	596.11	Calculated Property
Cp,gas	320.48	J/mol×K	676.89	Calculated Property
Cp,gas	339.32	J/mol×K	757.67	Calculated Property
Cp,gas	355.39	J/mol×K	838.44	Calculated Property
Cp,gas	369.44	J/mol×K	919.22	Calculated Property
Cp,gas	382.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiourea, N-methyl-N'-phenyl-.

Sources

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

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