Chemical Properties of Propyl iminoacetate

InChI

InChI=1S/C5H11NO/c1-3-4-7-5(2)6/h6H,3-4H2,1-2H3/b6-5+

InChI Key

LVZKSAYYDSKLIY-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CCCOC(C)=N

Molecular Weight¹

101.15

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-281.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	44.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-0.38		Relay (1.0) Calculated Property
logPoct/wat	1.410		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Pc	3623.05	kPa	Relay (1.0-beta) Calculated Property
Inp	[721.00; 721.00]
Inp	721.00		NIST
Inp	721.00		NIST
Tboil	424.63	K	Relay (1.0) Calculated Property
Tc	575.03	K	Relay (1.0) Calculated Property
Tfus	230.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[52.28; 179.76]	J/mol×K	[100.12; 420.76]
Cp,gas	52.28	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.28	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.28	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.28	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.28	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.28	J/mol×K	100.12	Joback Calculated Property
Cp,gas	179.76	J/mol×K	420.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propyl iminoacetate.

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.
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