Chemical Properties of Propanenitrile, 3-ethoxy- (CAS 2141-62-0)

InChI

InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3

InChI Key

DCWQZPJHHVLHSV-UHFFFAOYSA-N

Formula

C5H9NO

SMILES

CCOCCC#N

Molecular Weight¹

99.13

CAS

2141-62-0

Other Names

• Propionitrile, 3-ethoxy-
• «beta»-Ethoxypropionitrile
• 3-Ethoxypropionitrile
• 3-ethoxypropiononitrile
• C2H5CH(OC2H5)CH2CN

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.33; 272.26]	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			4.08430e+01
Coefficient B			3.50420e-01
Coefficient C			-1.06200e-04
Coefficient D			-1.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.33	J/mol×K	273.00	Calculated Property
Cp,gas	150.96	J/mol×K	353.78	Calculated Property
Cp,gas	172.01	J/mol×K	434.56	Calculated Property
Cp,gas	191.47	J/mol×K	515.33	Calculated Property
Cp,gas	209.28	J/mol×K	596.11	Calculated Property
Cp,gas	225.41	J/mol×K	676.89	Calculated Property
Cp,gas	239.81	J/mol×K	757.67	Calculated Property
Cp,gas	252.45	J/mol×K	838.44	Calculated Property
Cp,gas	263.28	J/mol×K	919.22	Calculated Property
Cp,gas	272.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanenitrile, 3-ethoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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