Chemical Properties of 3-Methoxypropionitrile (CAS 110-67-8)

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

85.11

CAS

110-67-8

• ω : Acentric Factor.
• 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).
• 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

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.

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

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[324.61; 464.75]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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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