Chemical Properties of Thiourea, N,N'-bis(1-methylethyl)-

InChI

InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)

InChI Key

KREOCUNMMFZOOS-UHFFFAOYSA-N

Formula

C7H16N2S

SMILES

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

Molecular Weight¹

160.29

Other Names

• Urea, 1,3-diisopropyl-2-thio-
• Diisopropylthiourea
• N,N'-Diisopropylthiourea
• 1,3-Diisopropyl-2-thiourea
• 1,3-Diisopropylthiourea
• sym-Diisopropylthiourea

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[193.86; 450.22]	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			-1.68500e+01
Coefficient B			9.40470e-01
Coefficient C			-6.72000e-04
Coefficient D			1.98600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.86	J/mol×K	273.00	Calculated Property
Cp,gas	240.55	J/mol×K	353.78	Calculated Property
Cp,gas	281.23	J/mol×K	434.56	Calculated Property
Cp,gas	316.52	J/mol×K	515.33	Calculated Property
Cp,gas	347.05	J/mol×K	596.11	Calculated Property
Cp,gas	373.44	J/mol×K	676.89	Calculated Property
Cp,gas	396.33	J/mol×K	757.67	Calculated Property
Cp,gas	416.33	J/mol×K	838.44	Calculated Property
Cp,gas	434.09	J/mol×K	919.22	Calculated Property
Cp,gas	450.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiourea, N,N'-bis(1-methylethyl)-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.