Chemical Properties of 5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI

InChI=1S/C8H12N2O2S/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)

InChI Key

QGVNJRROSLYGKF-UHFFFAOYSA-N

Formula

C8H12N2O2S

SMILES

CCC1(CC)C(=O)NC(=S)NC1=O

Molecular Weight¹

200.26

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.36; 470.36]	J/mol×K	[707.81; 976.54]
Cp,gas	388.36	J/mol×K	707.81	Joback Calculated Property
Cp,gas	403.28	J/mol×K	752.60	Joback Calculated Property
Cp,gas	417.58	J/mol×K	797.39	Joback Calculated Property
Cp,gas	431.35	J/mol×K	842.17	Joback Calculated Property
Cp,gas	444.69	J/mol×K	886.96	Joback Calculated Property
Cp,gas	457.66	J/mol×K	931.75	Joback Calculated Property
Cp,gas	470.36	J/mol×K	976.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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.
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