Chemical Properties of Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-

InChI

InChI=1S/C11H16N2S/c1-11(2,3)13-10(14)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,13,14)

InChI Key

JHMCTNQTJNGVRX-UHFFFAOYSA-N

Formula

C11H16N2S

SMILES

CC(C)(C)NC(=S)Nc1ccccc1

Molecular Weight¹

208.33

Other Names

• Urea, 1-tert-butyl-3-phenyl-2-thio-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.62; 538.45]	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			-7.55000e+01
Coefficient B			1.35555e+00
Coefficient C			-1.08620e-03
Coefficient D			3.44600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.62	J/mol×K	273.00	Calculated Property
Cp,gas	283.37	J/mol×K	353.78	Calculated Property
Cp,gas	336.72	J/mol×K	434.56	Calculated Property
Cp,gas	381.76	J/mol×K	515.33	Calculated Property
Cp,gas	419.57	J/mol×K	596.11	Calculated Property
Cp,gas	451.26	J/mol×K	676.89	Calculated Property
Cp,gas	477.89	J/mol×K	757.67	Calculated Property
Cp,gas	500.58	J/mol×K	838.44	Calculated Property
Cp,gas	520.40	J/mol×K	919.22	Calculated Property
Cp,gas	538.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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