Chemical Properties of 3-Methoxypropionitrile (CAS 33695-59-9)

InChI

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

InChI Key

OOWFYDWAMOKVSF-UHFFFAOYSA-N

Formula

C4H7NO

SMILES

COCCC#N

Molecular Weight¹

85.10

CAS

33695-59-9

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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

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
ΔvapH	47.60	kJ/mol	383.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[324.61; 464.75]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54768e+01
Coefficient B			-4.30703e+03
Coefficient C			-4.10490e+01
Temperature range, min.			324.61
Temperature range, max.			464.75
Pvap	1.33	kPa	324.61	Calculated Property
Pvap	2.94	kPa	340.18	Calculated Property
Pvap	5.99	kPa	355.75	Calculated Property
Pvap	11.43	kPa	371.32	Calculated Property
Pvap	20.56	kPa	386.89	Calculated Property
Pvap	35.15	kPa	402.47	Calculated Property
Pvap	57.51	kPa	418.04	Calculated Property
Pvap	90.48	kPa	433.61	Calculated Property
Pvap	137.51	kPa	449.18	Calculated Property
Pvap	202.66	kPa	464.75	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxypropionitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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