Chemical Properties of Tetramethylbutanedinitrile (CAS 3333-52-6)

InChI

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

InChI Key

ZVQXQPNJHRNGID-UHFFFAOYSA-N

Formula

C8H12N2

SMILES

CC(C)(C#N)C(C)(C)C#N

Molecular Weight¹

136.19

CAS

3333-52-6

Other Names

• Tetramethylsuccinonitrile
• Butanedinitrile, tetramethyl-
• Succinonitrile, tetramethyl-
• Tetramethylsuccinodinitrile
• Tetramethylsuccinotrile
• Tetramethylsuccinic acid dinitrile
• Tetramethylsukcinonitril
• TMSN
• 2,3-Dicyano-2,3-dimethylbutane
• 2,2,3,3-Tetramethylbutanedinitrile
• NSC 39746
• Butanedinitrile, 2,2,3,3-tetramethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	-4878.00 ± 1.30	kJ/mol	NIST
ΔfH°gas	[100.60; 101.00]	kJ/mol
ΔfH°gas	100.60	kJ/mol	NIST
ΔfH°gas	101.00 ± 2.00	kJ/mol	NIST
ΔfH°solid	[14.90; 19.90]	kJ/mol
ΔfH°solid	14.90 ± 1.30	kJ/mol	NIST
ΔfH°solid	19.90 ± 0.63	kJ/mol	NIST
ΔfusH°	4.66	kJ/mol	Joback Calculated Property
ΔsubH°	[81.00; 85.70]	kJ/mol
ΔsubH°	85.69	kJ/mol	NIST
ΔsubH°	85.70	kJ/mol	NIST
ΔsubH°	81.00 ± 2.00	kJ/mol	NIST
ΔsubH°	81.10	kJ/mol	NIST
ΔvapH°	56.61	kJ/mol	Relay (1.0) Calculated Property
IE	10.55	eV	Relay (1.0) Calculated Property
logPoct/wat	2.086		Crippen Calculated Property
McVol	126.340	ml/mol	McGowan Calculated Property
Tboil	490.71	K	Relay (1.0) Calculated Property
Tfus	442.20 ± 2.00	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.98; 356.84]	J/mol×K	[580.34; 807.68]
Cp,gas	302.98	J/mol×K	580.34	Joback Calculated Property
Cp,gas	313.83	J/mol×K	618.23	Joback Calculated Property
Cp,gas	323.84	J/mol×K	656.12	Joback Calculated Property
Cp,gas	333.08	J/mol×K	694.01	Joback Calculated Property
Cp,gas	341.61	J/mol×K	731.90	Joback Calculated Property
Cp,gas	349.51	J/mol×K	769.79	Joback Calculated Property
Cp,gas	356.84	J/mol×K	807.68	Joback Calculated Property
ΔfusH	[7.15; 18.10]	kJ/mol	[345.00; 442.00]
ΔfusH	18.10	kJ/mol	345.00	NIST
ΔfusH	7.15	kJ/mol	442.00	NIST
ΔfusH	7.15	kJ/mol	442.00	NIST
ΔfusS	[16.17; 52.48]	J/mol×K	[345.00; 442.00]
ΔfusS	52.48	J/mol×K	345.00	NIST
ΔfusS	16.17	J/mol×K	442.00	NIST

Similar Compounds

Find more compounds similar to Tetramethylbutanedinitrile.

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.
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