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

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	424.73	kJ/mol	Joback Calculated Property
ΔfH°gas	281.52	kJ/mol	Joback Calculated Property
ΔfusH°	25.32	kJ/mol	Joback Calculated Property
ΔvapH°	55.28	kJ/mol	Joback Calculated Property
IE	[8.00; 8.05]	eV
IE	8.00	eV	NIST
IE	8.05 ± 0.05	eV	NIST
log10WS	-2.43		Crippen 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	579.50	K	Joback Calculated Property
Tc	818.99	K	Joback Calculated Property
Tfus	345.93	K	Joback Calculated Property
Vc	0.481	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.01; 351.74]	J/mol×K	[579.50; 818.99]
Cp,gas	293.01	J/mol×K	579.50	Joback Calculated Property
Cp,gas	304.98	J/mol×K	619.42	Joback Calculated Property
Cp,gas	315.95	J/mol×K	659.33	Joback Calculated Property
Cp,gas	326.02	J/mol×K	699.25	Joback Calculated Property
Cp,gas	335.28	J/mol×K	739.16	Joback Calculated Property
Cp,gas	343.82	J/mol×K	779.08	Joback Calculated Property
Cp,gas	351.74	J/mol×K	818.99	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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