Chemical Properties of Ethyl cyanoacetate (CAS 105-56-6)

InChI

InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3

InChI Key

ZIUSEGSNTOUIPT-UHFFFAOYSA-N

Formula

C5H7NO2

SMILES

CCOC(=O)CC#N

Molecular Weight¹

113.11

CAS

105-56-6

Other Names

• Acetic acid, 2-cyano-, ethyl ester
• Acetic acid, cyano-, ethyl ester
• Cyanacetate ethyle
• Cyanoacetic acid, ethyl ester
• Cyanoacetic ester
• Estere cianoacetico
• Ethyl cyanacetate
• Ethyl ester of cyanoacetic acid
• Ethylester kyseliny kyanoctove
• Malonic acid, ethyl ester nitrile
• NCCH2COOC2H5
• NSC 8844
• UN 2666
• USAF KF-25
• ethyl 2-cyanoacetate
• ethyl cyanoethanoate

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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).
• I_np : Non-polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4865		Relay (1.0) Calculated Property
ΔcH°liquid	-2638.00	kJ/mol	NIST
ΔfG°	-109.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.96	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-330.30	kJ/mol	NIST
ΔfusH°	13.00	kJ/mol	Joback Calculated Property
ΔvapH°	63.49	kJ/mol	Relay (1.0) Calculated Property
IE	10.61	eV	Relay (1.0) Calculated Property
log10WS	-0.31		Relay (1.0) Calculated Property
logPoct/wat	0.463		Crippen Calculated Property
McVol	90.130	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Inp	[959.00; 962.00]
Inp	959.00		NIST
Inp	960.00		NIST
Inp	962.00		NIST
Inp	959.00		NIST
Inp	962.00		NIST
S°liquid	[177.45; 275.33]	J/mol×K
S°liquid	275.33	J/mol×K	NIST
S°liquid	177.45	J/mol×K	NIST
Tboil	482.20	K	NIST
Tc	638.53	K	Relay (1.0) Calculated Property
Tfus	371.65 ± 1.50	K	NIST
Ttriple	[160.00; 247.00]	K
Ttriple	247.00 ± 1.00	K	NIST
Ttriple	160.00 ± 1.00	K	NIST
Ttriple	246.80 ± 0.10	K	NIST
Vc	0.336	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.09; 222.32]	J/mol×K	[492.17; 692.81]
Cp,gas	183.09	J/mol×K	492.17	Joback Calculated Property
Cp,gas	190.32	J/mol×K	525.61	Joback Calculated Property
Cp,gas	197.29	J/mol×K	559.05	Joback Calculated Property
Cp,gas	203.97	J/mol×K	592.49	Joback Calculated Property
Cp,gas	210.38	J/mol×K	625.93	Joback Calculated Property
Cp,gas	216.49	J/mol×K	659.37	Joback Calculated Property
Cp,gas	222.32	J/mol×K	692.81	Joback Calculated Property
Cp,liquid	[220.22; 222.04]	J/mol×K	[298.15; 300.00]
Cp,liquid	220.22	J/mol×K	298.15	NIST
Cp,liquid	222.04	J/mol×K	300.00	NIST
η	[0.0017698; 0.0021861]	Pa×s	[303.15; 313.15]
η	0.0021861	Pa×s	303.15	Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
η	0.0019618	Pa×s	308.15	Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
η	0.0017698	Pa×s	313.15	Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
ΔfusH	[11.78; 11.78]	kJ/mol	[246.80; 246.80]
ΔfusH	11.78	kJ/mol	246.80	NIST
ΔfusH	11.78	kJ/mol	246.80	NIST
ΔvapH	66.90	kJ/mol	409.50	NIST
csound,fluid	[1359.00; 1397.00]	m/s	[303.15; 318.15]
csound,fluid	1397.00	m/s	303.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
csound,fluid	1385.00	m/s	308.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
csound,fluid	1368.00	m/s	313.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
csound,fluid	1359.00	m/s	318.15	Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K

Similar Compounds

Find more compounds similar to Ethyl cyanoacetate.

Mixtures

• Ethyl cyanoacetate + Acetamide, N-methyl-
• Ethyl cyanoacetate + Benzyl nitrile

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
• Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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