Chemical Properties of Dicyandiamide (CAS 461-58-5)

InChI

InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)

InChI Key

QGBSISYHAICWAH-UHFFFAOYSA-N

Formula

C2H4N4

SMILES

N#CNC(=N)N

Molecular Weight¹

84.08

CAS

461-58-5

Other Names

• 1-Cyanoguanidine
• 2-Cyanoguanidine
• ACR-H 3636
• Araldite HT 986
• Araldite XB 2879B
• Araldite XB 2979B
• Bakelite VE 2560
• Cyanoguanidine
• Dicyandiamin
• Dicyanediamide
• Dicyanodiamide
• Epicure DICY 15
• Epicure DICY 7
• Guanidine, N-cyano-
• Guanidine, cyano-
• Guanidine-1-carbonitrile
• N-cyanoguanidine
• NCN=C(NH2)2
• NSC 2031
• Pyroset DO
• XB 2879B

• 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°_solid : Solid phase enthalpy of formation 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×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	[-1383.60; -1377.63]	kJ/mol
ΔcH°solid	-1377.63	kJ/mol	NIST
ΔcH°solid	-1379.90 ± 2.00	kJ/mol	NIST
ΔcH°solid	-1383.60	kJ/mol	NIST
ΔfH°solid	[21.30; 24.90]	kJ/mol
ΔfH°solid	21.30 ± 2.00	kJ/mol	NIST
ΔfH°solid	24.90	kJ/mol	NIST
IE	[8.40; 8.99]	eV
IE	8.40	eV	NIST
IE	8.99	eV	NIST
logPoct/wat	-1.049		Crippen Calculated Property
McVol	66.060	ml/mol	McGowan Calculated Property
S°solid,1 bar	129.29	J/mol×K	NIST
Tfus	[482.65; 482.65]	K
Tfus	482.65	K	Solid-liquid equilibrium of dicyandiamide in different solvents
Tfus	482.65	K	Measurement, correlation of the solubility and solution thermodynamics of 2-cyanoguanidine in (methanol + water) binary solvent systems from T = (283.15 to 343.15) K

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[36.83; 139.68]	J/mol×K	[100.12; 554.48]
Cp,gas	36.83	J/mol×K	100.12	Joback Calculated Property
Cp,gas	36.83	J/mol×K	100.12	Joback Calculated Property
Cp,gas	36.83	J/mol×K	100.12	Joback Calculated Property
Cp,gas	36.83	J/mol×K	100.12	Joback Calculated Property
Cp,gas	36.83	J/mol×K	100.12	Joback Calculated Property
Cp,gas	36.83	J/mol×K	100.12	Joback Calculated Property
Cp,gas	139.68	J/mol×K	554.48	Joback Calculated Property
Cp,solid	[117.74; 142.00]	J/mol×K	[294.63; 340.00]
Cp,solid	117.74	J/mol×K	294.63	NIST
Cp,solid	142.00	J/mol×K	340.00	NIST
ΔfusH	22.96	kJ/mol	487.60	NIST
ΔsubH	128.70	kJ/mol	435.00	NIST

Similar Compounds

Find more compounds similar to Dicyandiamide.

Mixtures

• Dicyandiamide + Methyl Alcohol + Water
• Dicyandiamide + Water
• Dicyandiamide + Methyl Alcohol
• Ethanol + Dicyandiamide
• 1,2-Ethanediol + Dicyandiamide
• Acetone + Dicyandiamide
• sodium chloride + Dicyandiamide + Water
• potassium chloride + Dicyandiamide + Water
• Dicyandiamide + Lithium chloride + Water
• 1,2-Ethanediol + Dicyandiamide + Water
• Formamide, N,N-dimethyl- + Dicyandiamide + Water

Sources

• 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
• Solid-liquid equilibrium of dicyandiamide in different solvents
• Salting-out effect of alkali metal chlorides (lithium, sodium, and potassium) on 2-cyanoguanidine aqueous solution: A solid-liquid equilibrium study
• Measurement, correlation of the solubility and solution thermodynamics of 2-cyanoguanidine in (methanol + water) binary solvent systems from T = (283.15 to 343.15) K
• Equilibrium Solubilities of 2-Cyanoguanidine in Water + (Ethane-1,2-diol or N,N-Dimethylformamide) Mixtures at Different Temperatures: An Experimental and Correlational Study
• Joback Method
• McGowan Method
• NIST Webbook

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