Chemical Properties of Pyrazine, tetramethyl- (CAS 1124-11-4)

InChI

InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3

InChI Key

FINHMKGKINIASC-UHFFFAOYSA-N

Formula

C8H12N2

SMILES

Cc1nc(C)c(C)nc1C

Molecular Weight¹

136.19

CAS

1124-11-4

Other Names

• 2,3,5,6-Tetramethylpyrazine
• BS Factor
• Pyrazine, 2,3,5,6-tetramethyl
• Tetramethylpyrazin
• ligustrazine
• tetramethylpyrazine
• tetrapyrazine

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔcH°solid	-4823.20 ± 1.70	kJ/mol	NIST
ΔfH°gas	54.70 ± 4.50	kJ/mol	NIST
ΔfH°solid	-39.90 ± 2.00	kJ/mol	NIST
ΔsubH°	[94.60; 94.60]	kJ/mol
ΔsubH°	94.60 ± 4.00	kJ/mol	NIST
ΔsubH°	94.60	kJ/mol	NIST
ΔsubH°	94.60 ± 4.00	kJ/mol	NIST
ΔvapH°	58.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	NIST
logPoct/wat	1.710		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Inp	[1053.00; 1105.00]
Inp	1096.00		NIST
Inp	1091.00		NIST
Inp	1096.00		NIST
Inp	1091.00		NIST
Inp	1065.00		NIST
Inp	1068.00		NIST
Inp	1082.00		NIST
Inp	1096.00		NIST
Inp	1075.00		NIST
Inp	1093.00		NIST
Inp	1093.68		NIST
Inp	1105.00		NIST
Inp	1072.00		NIST
Inp	1062.20		NIST
Inp	1068.00		NIST
Inp	1065.60		NIST
Inp	1069.30		NIST
Inp	1062.90		NIST
Inp	1067.70		NIST
Inp	1061.00		NIST
Inp	1065.00		NIST
Inp	1087.30		NIST
Inp	1061.00		NIST
Inp	1098.00		NIST
Inp	1085.00		NIST
Inp	1090.00		NIST
Inp	1084.00		NIST
Inp	1095.00		NIST
Inp	1061.00		NIST
Inp	1064.00		NIST
Inp	1067.00		NIST
Inp	1058.00		NIST
Inp	1088.00		NIST
Inp	1067.00		NIST
Inp	1060.00		NIST
Inp	1053.00		NIST
Inp	1089.00		NIST
Inp	1062.00		NIST
Inp	1069.00		NIST
Inp	1065.00		NIST
Inp	1086.00		NIST
Inp	1086.00		NIST
Inp	1102.00		NIST
Inp	1067.00		NIST
Inp	1068.00		NIST
Inp	1067.00		NIST
Inp	1068.00		NIST
Inp	1096.00		NIST
Inp	1053.00		NIST
Inp	1086.00		NIST
Inp	1067.00		NIST
Inp	1085.00		NIST
Inp	1064.00		NIST
Inp	1060.00		NIST
Inp	1082.00		NIST
Inp	1105.00		NIST
Inp	1069.30		NIST
Ip	[1438.00; 1486.00]
Ip	1462.00		NIST
Ip	1449.00		NIST
Ip	1457.00		NIST
Ip	1466.00		NIST
Ip	1467.00		NIST
Ip	1462.00		NIST
Ip	Outlier 1438.00		NIST
Ip	1473.00		NIST
Ip	1473.00		NIST
Ip	1475.00		NIST
Ip	1474.00		NIST
Ip	1474.00		NIST
Ip	1483.00		NIST
Ip	1484.00		NIST
Ip	1485.00		NIST
Ip	1474.00		NIST
Ip	1466.00		NIST
Ip	1469.00		NIST
Ip	1474.00		NIST
Ip	1460.00		NIST
Ip	1460.00		NIST
Ip	1459.00		NIST
Ip	1478.00		NIST
Ip	1478.00		NIST
Ip	1484.00		NIST
Ip	1473.00		NIST
Ip	1474.00		NIST
Ip	1449.00		NIST
Ip	1460.00		NIST
Ip	1468.00		NIST
Ip	1478.00		NIST
Ip	Outlier 1439.00		NIST
Ip	1464.00		NIST
Ip	1471.00		NIST
Ip	1472.00		NIST
Ip	Outlier 1440.00		NIST
Ip	1486.00		NIST
Ip	1458.00		NIST
Ip	1453.00		NIST
Ip	Outlier 1439.00		NIST
Ip	1467.00		NIST
Ip	1474.00		NIST
Ip	1462.00		NIST
Tboil	463.20	K	NIST
Tfus	[358.15; 358.55]	K
Tfus	358.55	K	Measurement and Correlation of the Solubility of Tetramethylpyrazine in Nine Monosolvents and Two Binary Solvent Systems
Tfus	358.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	358.50 ± 0.30	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

Find more compounds similar to Pyrazine, tetramethyl-.

Mixtures

• Carbon dioxide + Pyrazine, tetramethyl-
• Pyrazine, tetramethyl- + Methyl Alcohol
• Ethanol + Pyrazine, tetramethyl-
• 1-Propanol + Pyrazine, tetramethyl-
• 2-Propanol + Pyrazine, tetramethyl-
• Pyrazine, tetramethyl- + 1-Butanol
• Pyrazine, tetramethyl- + Acetic acid, methyl ester
• Pyrazine, tetramethyl- + Ethyl Acetate
• Acetonitrile + Pyrazine, tetramethyl-
• Pyrazine, tetramethyl- + Acetone
• Acetonitrile + Pyrazine, tetramethyl- + Methyl Alcohol
• Acetonitrile + Pyrazine, tetramethyl- + 1-Butanol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Measurement and Correlation of the Solubility of Tetramethylpyrazine in Nine Monosolvents and Two Binary Solvent Systems
• Solubility of Ferulic Acid and Tetramethylpyrazine in Supercritical Carbon Dioxide
• McGowan Method
• NIST Webbook

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