Chemical Properties of Propanenitrile, 3-methoxy- (CAS 110-67-8)

InChI

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

InChI Key

OOWFYDWAMOKVSF-UHFFFAOYSA-N

Formula

C4H7N

SMILES

COCCC#N

Molecular Weight¹

69.11

CAS

110-67-8

Other Names

• .beta.-methoxypropionitrile
• 1-Methoxy-2-cyanoethane
• 1-cyano-2-methoxyethane
• 2-cyanoethyl methyl ether
• 3-Methoxypropannitril
• 3-Methoxypropylnitrile
• 3-methoxypropanenitrile
• 3-methoxypropionitrile
• 3-methoxypropiononitrile
• Methyl «beta»-cyanoethyl ether
• NSC 4090
• propionitrile, 3-methoxy-
• «beta»-Methoxypropionitrile
• «beta»-Methyoxypropionitrile

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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.
• 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	0.4242		Relay (1.0) Calculated Property
ΔfG°	10.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-66.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.81	kJ/mol	Joback Calculated Property
ΔvapH°	45.88	kJ/mol	Relay (1.0) Calculated Property
IE	11.00	eV	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
Inp	[750.00; 750.00]
Inp	750.00		NIST
Inp	750.00		NIST
Tboil	[436.20; 437.70]	K
Tboil	437.70	K	NIST
Tboil	436.20	K	NIST
Tc	650.90	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tfus	[209.53; 211.00]	K
Tfus	209.53	K	Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
Tfus	211.00 ± 0.60	K	NIST
Tfus	210.12 ± 0.20	K	NIST
Tfus	210.20 ± 0.10	K	NIST
Vc	0.278	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.19; 172.26]	J/mol×K	[415.62; 607.49]
Cp,gas	137.19	J/mol×K	415.62	Joback Calculated Property
Cp,gas	143.48	J/mol×K	447.60	Joback Calculated Property
Cp,gas	149.61	J/mol×K	479.58	Joback Calculated Property
Cp,gas	155.55	J/mol×K	511.55	Joback Calculated Property
Cp,gas	161.31	J/mol×K	543.53	Joback Calculated Property
Cp,gas	166.88	J/mol×K	575.51	Joback Calculated Property
Cp,gas	172.26	J/mol×K	607.49	Joback Calculated Property
Cp,liquid	180.60	J/mol×K	300.60	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• 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.
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