Chemical Properties of Acetonitrile, (dimethylamino)- (CAS 926-64-7)

InChI

InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3

InChI Key

PLXBWEPPAAQASG-UHFFFAOYSA-N

Formula

C4H8N2

SMILES

CN(C)CC#N

Molecular Weight¹

84.12

CAS

926-64-7

Other Names

• (CH3)2NCH2CN
• (Dimethylamino)acetonitrile
• 2-Dimethylaminoacetonitrile
• Glycinonitrile, N,N-dimethyl-
• N-(Cyanomethyl)dimethylamine
• UN 2378

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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 : 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
PAff	884.50	kJ/mol	NIST
BasG	853.70	kJ/mol	NIST
ΔcH°liquid	-2786.38 ± 0.41	kJ/mol	NIST
ΔfH°gas	114.39 ± 0.75	kJ/mol	NIST
ΔfH°liquid	69.00 ± 0.50	kJ/mol	NIST
ΔfusH°	10.64	kJ/mol	Joback Calculated Property
ΔvapH°	[45.40; 45.40]	kJ/mol
ΔvapH°	45.40 ± 0.59	kJ/mol	NIST
ΔvapH°	45.40	kJ/mol	NIST
IE	[8.72; 8.86]	eV
IE	8.86	eV	NIST
IE	8.72 ± 0.03	eV	NIST
IE	8.72 ± 0.05	eV	NIST
logPoct/wat	0.072		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Inp	[712.00; 714.00]
Inp	712.00		NIST
Inp	714.00		NIST
I	[1243.00; 1244.00]
I	1243.00		NIST
I	1243.00		NIST
I	1244.00		NIST
I	1243.00		NIST
Tboil	410.70	K	NIST
Tfus	220.20	K	Relay (1.0) Calculated Property

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	[144.26; 185.76]	J/mol×K	[405.64; 595.90]
Cp,gas	144.26	J/mol×K	405.64	Joback Calculated Property
Cp,gas	152.08	J/mol×K	437.35	Joback Calculated Property
Cp,gas	159.51	J/mol×K	469.06	Joback Calculated Property
Cp,gas	166.59	J/mol×K	500.77	Joback Calculated Property
Cp,gas	173.31	J/mol×K	532.48	Joback Calculated Property
Cp,gas	179.70	J/mol×K	564.19	Joback Calculated Property
Cp,gas	185.76	J/mol×K	595.90	Joback Calculated Property
ΔvapH	45.40 ± 0.60	kJ/mol	292.00	NIST

Similar Compounds

Find more compounds similar to Acetonitrile, (dimethylamino)-.

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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