Chemical Properties of Acetonitrile, ethoxy- (CAS 62957-60-2)

InChI

InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3

InChI Key

WPYUCWSMVJJWFI-UHFFFAOYSA-N

Formula

C4H7NO

SMILES

CCOCC#N

Molecular Weight¹

85.10

CAS

62957-60-2

Other Names

• Ethoxyacetonitrile

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (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_fH°_liquid : Liquid phase 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4166		Relay (1.0) Calculated Property
ΔcH°liquid	[-2462.70; -2458.50]	kJ/mol
ΔcH°liquid	-2458.50 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-2462.70 ± 0.60	kJ/mol	NIST
ΔfG°	10.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.50 ± 0.56	kJ/mol	NIST
ΔfH°liquid	[-116.00; -111.70]	kJ/mol
ΔfH°liquid	-116.00 ± 0.50	kJ/mol	NIST
ΔfH°liquid	-111.70 ± 0.60	kJ/mol	NIST
ΔfusH°	8.81	kJ/mol	Joback Calculated Property
ΔvapH°	[46.48; 46.50]	kJ/mol
ΔvapH°	46.48 ± 0.25	kJ/mol	NIST
ΔvapH°	46.50 ± 0.30	kJ/mol	NIST
IE	10.46	eV	Relay (1.0) Calculated Property
log10WS	0.30		Relay (1.0) Calculated Property
logPoct/wat	0.546		Crippen Calculated Property
McVol	74.470	ml/mol	McGowan Calculated Property
Pc	3699.95	kPa	Joback Calculated Property
Tboil	414.66	K	Relay (1.0) Calculated Property
Tc	584.66	K	Relay (1.0) Calculated Property
Tfus	203.48	K	Relay (1.0) Calculated Property
Vc	0.281	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[107.12; 220.67]	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			4.17520e+01
Coefficient B			2.55420e-01
Coefficient C			-5.18000e-05
Coefficient D			-2.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.12	J/mol×K	273.00	Calculated Property
Cp,gas	124.54	J/mol×K	353.78	Calculated Property
Cp,gas	140.94	J/mol×K	434.56	Calculated Property
Cp,gas	156.24	J/mol×K	515.33	Calculated Property
Cp,gas	170.37	J/mol×K	596.11	Calculated Property
Cp,gas	183.25	J/mol×K	676.89	Calculated Property
Cp,gas	194.80	J/mol×K	757.67	Calculated Property
Cp,gas	204.93	J/mol×K	838.44	Calculated Property
Cp,gas	213.59	J/mol×K	919.22	Calculated Property
Cp,gas	220.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetonitrile, ethoxy-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.