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

• 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).
• 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).
• 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
ΔfG°	10.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.23	kJ/mol	Joback Calculated Property
ΔfusH°	8.81	kJ/mol	Joback Calculated Property
ΔvapH°	37.39	kJ/mol	Joback Calculated Property
log10WS	-0.45		Crippen 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	607.19	K	Joback Calculated Property
Tfus	[209.53; 211.00]	K
Tfus	209.53	K	Efficie...
Tfus	211.00 ± 0.60	K	NIST
Tfus	210.12 ± 0.20	K	NIST
Tfus	210.20 ± 0.10	K	NIST
Vc	0.303	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.15; 172.21]	J/mol×K	[415.42; 607.19]
Cp,gas	137.15	J/mol×K	415.42	Joback Calculated Property
Cp,gas	143.44	J/mol×K	447.38	Joback Calculated Property
Cp,gas	149.56	J/mol×K	479.34	Joback Calculated Property
Cp,gas	155.51	J/mol×K	511.31	Joback Calculated Property
Cp,gas	161.26	J/mol×K	543.27	Joback Calculated Property
Cp,gas	166.84	J/mol×K	575.23	Joback Calculated Property
Cp,gas	172.21	J/mol×K	607.19	Joback Calculated Property
Cp,liquid	180.60	J/mol×K	300.60	NIST

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
• Joback Method
• McGowan Method
• NIST Webbook

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