Chemical Properties of N-(beta-cyanoethyl)glycine ethyl ester (CAS 44981-94-4)

N-(beta-cyanoethyl)glycine ethyl ester

InChI
InChI=1S/C7H12N2O2/c1-2-11-7(10)6-9-5-3-4-8/h9H,2-3,5-6H2,1H3
InChI Key
SBPUJTNHAUBDKF-UHFFFAOYSA-N
Formula
C7H12N2O2
SMILES
CCOC(=O)CNCCC#N
Molecular Weight1
156.18
CAS
44981-94-4
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Physical Properties

Property Value Unit Source
ω 0.5967 Relay (1.0) Calculated Property
ΔfG° -79.74 kJ/mol Joback Calculated Property
ΔfH°gas -278.85 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.86 kJ/mol Joback Calculated Property
ΔvapH° 73.06 kJ/mol Relay (1.0) Calculated Property
IE 9.79 eV Relay (1.0) Calculated Property
log10WS 0.16 Relay (1.0) Calculated Property
logPoct/wat 0.053 Crippen Calculated Property
McVol 128.290 ml/mol McGowan Calculated Property
Pc 2778.85 kPa Joback Calculated Property
Tboil 533.65 K Relay (1.0) Calculated Property
Tc 708.73 K Relay (1.0) Calculated Property
Tfus 280.77 K Relay (1.0) Calculated Property
Vc 0.475 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [187.88; 401.94] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.77240e+01
Coefficient B6.25020e-01
Coefficient C-2.80000e-04
Coefficient D1.92000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 187.88 J/mol×K 273.00 Calculated Property
Cp,gas 224.65 J/mol×K 353.78 Calculated Property
Cp,gas 258.03 J/mol×K 434.56 Calculated Property
Cp,gas 288.09 J/mol×K 515.33 Calculated Property
Cp,gas 314.87 J/mol×K 596.11 Calculated Property
Cp,gas 338.46 J/mol×K 676.89 Calculated Property
Cp,gas 358.90 J/mol×K 757.67 Calculated Property
Cp,gas 376.25 J/mol×K 838.44 Calculated Property
Cp,gas 390.58 J/mol×K 919.22 Calculated Property
Cp,gas 401.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

Acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester. Glycine, N-acetyl-, ethyl ester. Glycylglycine ethyl ester. ETHYL 2-PIPERIDINECARBOXYLATE. Glycine, n-(phenoxyacetyl)-, ethyl ester. Pro, propyl ester. Diethylene glycol, amino, N-octyl. Diethylene glycol, amino, N-hexyl. 4-morpholinepropanesulfonic acid. Pro, isopropyl ester. Triethylene glycol, amino, N-octyl. Triethylene glycol, amino, N-hexyl. Propanedioic acid, (acetylamino)-, diethyl ester. 4-Carboxy-1-piperidineacetic acid, 4-ethyl-1, methyl ester. Beta-alanine, n-benzyl-n-carboxymethyl, diethyl ester.

Find more compounds similar to N-(beta-cyanoethyl)glycine ethyl ester.

Sources

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