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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.41; 476.93]	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			4.10200e+00
Coefficient B			8.24430e-01
Coefficient C			-5.09600e-04
Coefficient D			1.58000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.41	J/mol×K	273.00	Calculated Property
Cp,gas	238.98	J/mol×K	353.78	Calculated Property
Cp,gas	279.10	J/mol×K	434.56	Calculated Property
Cp,gas	315.25	J/mol×K	515.33	Calculated Property
Cp,gas	347.94	J/mol×K	596.11	Calculated Property
Cp,gas	377.66	J/mol×K	676.89	Calculated Property
Cp,gas	404.93	J/mol×K	757.67	Calculated Property
Cp,gas	430.23	J/mol×K	838.44	Calculated Property
Cp,gas	454.06	J/mol×K	919.22	Calculated Property
Cp,gas	476.93	J/mol×K	1000.00	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

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