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).
• P_vap : Vapor 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°	-185.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.96	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-330.30	kJ/mol	NIST
ΔfusH°	14.58	kJ/mol	Joback Calculated Property
ΔvapH°	65.08	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	3388.08	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	650.16	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
Ttriple	247.00 ± 1.00	K	NIST
Ttriple	160.00 ± 1.00	K	NIST
Ttriple	246.80 ± 0.10	K	NIST
Vc	0.342	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.27; 261.87]	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			4.07520e+01
Coefficient B			3.58820e-01
Coefficient C			-1.22600e-04
Coefficient D			-1.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.27	J/mol×K	273.00	Calculated Property
Cp,gas	151.68	J/mol×K	353.78	Calculated Property
Cp,gas	172.29	J/mol×K	434.56	Calculated Property
Cp,gas	191.04	J/mol×K	515.33	Calculated Property
Cp,gas	207.88	J/mol×K	596.11	Calculated Property
Cp,gas	222.78	J/mol×K	676.89	Calculated Property
Cp,gas	235.67	J/mol×K	757.67	Calculated Property
Cp,gas	246.52	J/mol×K	838.44	Calculated Property
Cp,gas	255.27	J/mol×K	919.22	Calculated Property
Cp,gas	261.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.71]	kPa	[341.00; 479.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.17991e+01
Coefficient B			-8.50497e+03
Coefficient C			1.61380e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			341.00
Temperature range, max.			479.00
Pvap	0.13	kPa	341.00	Calculated Property
Pvap	0.36	kPa	356.33	Calculated Property
Pvap	0.88	kPa	371.67	Calculated Property
Pvap	2.02	kPa	387.00	Calculated Property
Pvap	4.37	kPa	402.33	Calculated Property
Pvap	8.97	kPa	417.67	Calculated Property
Pvap	17.51	kPa	433.00	Calculated Property
Pvap	32.72	kPa	448.33	Calculated Property
Pvap	58.75	kPa	463.67	Calculated Property
Pvap	101.71	kPa	479.00	Calculated Property

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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