Chemical Properties of Acetamide, 2-cyano-

InChI

InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)

InChI Key

DGJMPUGMZIKDRO-UHFFFAOYSA-N

Formula

C3H4N2O

SMILES

N#CCC(N)=O

Molecular Weight¹

84.08

Other Names

• 2-cyanoacetamide
• 2-cyanoethanamide
• 3-Nitrilo-propionamide
• Amid kyseliny kyanoctove
• CAA
• Cyanacetamide
• Cyanoacetamide
• Cyanoiminoacetic acid
• Kyanacetamid
• Malonamide nitrile
• Malonamonitrile
• NSC 6285
• Nitrilomalonamide
• Propionamide, 3-nitrilo-
• USAF KF-14
• ethanamide, 2-cyano-
• «alpha»-Cyanoacetamide

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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 a given temperature (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).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-1577.00	kJ/mol	NIST
ΔfH°gas	-83.50	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-175.60	kJ/mol	NIST
ΔfusH°	11.83	kJ/mol	Joback Calculated Property
ΔvapH°	63.82	kJ/mol	Relay (1.0) Calculated Property
IE	10.50	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.615		Crippen Calculated Property
McVol	66.060	ml/mol	McGowan Calculated Property
Tboil	515.61	K	Relay (1.0) Calculated Property
Tfus	[387.30; 393.15]	K
Tfus	393.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	387.30 ± 0.20	K	NIST
Ttriple	392.84	K	Measurement and Correlation of the Solubility of 2-Cyanoacetamide in 14 Pure Solvents and the Mixing Properties of Solutions

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,solid	111.10	J/mol×K	300.00	NIST
ΔfusH	[1.20; 21.70]	kJ/mol	[346.50; 387.30]
ΔfusH	1.20	kJ/mol	346.50	NIST
ΔfusH	21.70	kJ/mol	387.30	NIST
ΔfusH	21.70	kJ/mol	387.30	NIST
ΔsubH	99.70	kJ/mol	336.50	NIST
ΔfusS	[3.46; 56.03]	J/mol×K	[346.50; 387.30]
ΔfusS	3.46	J/mol×K	346.50	NIST
ΔfusS	56.03	J/mol×K	387.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[91.80; 175.57]	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			3.10110e+01
Coefficient B			2.57500e-01
Coefficient C			-1.33100e-04
Coefficient D			2.01600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	91.80	J/mol×K	273.00	Calculated Property
Cp,gas	106.34	J/mol×K	353.78	Calculated Property
Cp,gas	119.43	J/mol×K	434.56	Calculated Property
Cp,gas	131.12	J/mol×K	515.33	Calculated Property
Cp,gas	141.48	J/mol×K	596.11	Calculated Property
Cp,gas	150.58	J/mol×K	676.89	Calculated Property
Cp,gas	158.47	J/mol×K	757.67	Calculated Property
Cp,gas	165.23	J/mol×K	838.44	Calculated Property
Cp,gas	170.90	J/mol×K	919.22	Calculated Property
Cp,gas	175.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2-cyano-.

Mixtures

• Acetamide, 2-cyano- + Formamide, N,N-dimethyl-
• Acetamide, 2-cyano- + Acetone
• Acetonitrile + Acetamide, 2-cyano-
• Acetamide, 2-cyano- + Methyl Alcohol
• Acetamide, 2-cyano- + Acetic acid, methyl ester
• Acetamide, 2-cyano- + Tetrahydrofuran
• Acetamide, 2-cyano- + Ethanol
• Acetamide, 2-cyano- + Ethyl Acetate
• 1-Propanol + Acetamide, 2-cyano-
• Acetamide, 2-cyano- + 1-Butanol
• Trichloromethane + Acetamide, 2-cyano-
• Methylene chloride + Acetamide, 2-cyano-
• Acetamide, 2-cyano- + 1,4-Dioxane
• Acetamide, 2-cyano- + Water

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 2-Cyanoacetamide in 14 Pure Solvents and the Mixing Properties of Solutions
• Joback Method
• McGowan Method
• NIST Webbook

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