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_fG° : Standard Gibbs free energy of formation (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_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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-4878.00 ± 1.30	kJ/mol	NIST
ΔfG°	288.52	kJ/mol	Joback Calculated Property
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°	51.77	kJ/mol	Joback Calculated Property
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	2.086		Crippen Calculated Property
McVol	126.340	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Tboil	580.14	K	Joback Calculated Property
Tc	807.41	K	Joback Calculated Property
Tfus	442.20 ± 2.00	K	NIST
Vc	0.513	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.92; 356.79]	J/mol×K	[580.14; 807.41]
Cp,gas	302.92	J/mol×K	580.14	Joback Calculated Property
Cp,gas	313.77	J/mol×K	618.02	Joback Calculated Property
Cp,gas	323.78	J/mol×K	655.90	Joback Calculated Property
Cp,gas	333.02	J/mol×K	693.77	Joback Calculated Property
Cp,gas	341.55	J/mol×K	731.65	Joback Calculated Property
Cp,gas	349.45	J/mol×K	769.53	Joback Calculated Property
Cp,gas	356.79	J/mol×K	807.41	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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