Chemical Properties of Butanenireile, 2-methoxy

InChI

InChI=1S/C5H9NO/c1-3-5(4-6)7-2/h5H,3H2,1-2H3

InChI Key

HLGNKWVNJVYHJO-UHFFFAOYSA-N

Formula

C5H9NO

SMILES

CCC(C#N)OC

Molecular Weight¹

99.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.10; 217.38]	J/mol×K	[437.86; 632.31]
Cp,gas	173.10	J/mol×K	437.86	Joback Calculated Property
Cp,gas	181.16	J/mol×K	470.27	Joback Calculated Property
Cp,gas	188.95	J/mol×K	502.68	Joback Calculated Property
Cp,gas	196.47	J/mol×K	535.08	Joback Calculated Property
Cp,gas	203.72	J/mol×K	567.49	Joback Calculated Property
Cp,gas	210.69	J/mol×K	599.90	Joback Calculated Property
Cp,gas	217.38	J/mol×K	632.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanenireile, 2-methoxy.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.