Chemical Properties of 1,2,4,5-Tetrazine, 1,4-dihydro-3,6-dimethyl- (CAS 37454-64-1)

InChI

InChI=1S/C4H8N4/c1-3-5-7-4(2)8-6-3/h1-2H3,(H,5,6)(H,7,8)

InChI Key

DPHZUYOKHNJDLR-UHFFFAOYSA-N

Formula

C4H8N4

SMILES

CC1=NN=C(C)NN1

Molecular Weight¹

112.13

CAS

37454-64-1

Other Names

• 1,2,4,5-Tetrazine, 3,6-dihydro-3,6-dimethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of vaporization 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	[117.18; 307.15]	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			1.95500e+01
Coefficient B			3.41600e-01
Coefficient C			1.01000e-04
Coefficient D			-1.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.18	J/mol×K	273.00	Calculated Property
Cp,gas	146.18	J/mol×K	353.78	Calculated Property
Cp,gas	174.35	J/mol×K	434.56	Calculated Property
Cp,gas	201.20	J/mol×K	515.33	Calculated Property
Cp,gas	226.24	J/mol×K	596.11	Calculated Property
Cp,gas	248.98	J/mol×K	676.89	Calculated Property
Cp,gas	268.93	J/mol×K	757.67	Calculated Property
Cp,gas	285.60	J/mol×K	838.44	Calculated Property
Cp,gas	298.51	J/mol×K	919.22	Calculated Property
Cp,gas	307.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5-Tetrazine, 1,4-dihydro-3,6-dimethyl-.

Sources

• 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

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