Chemical Properties of Carbonic acid, monoamide, N-propyl-, octyl ester

InChI

InChI=1S/C12H25NO2/c1-3-5-6-7-8-9-11-15-12(14)13-10-4-2/h3-11H2,1-2H3,(H,13,14)

InChI Key

SOEWDVTWPNADPE-UHFFFAOYSA-N

Formula

C12H25NO2

SMILES

CCCCCCCCOC(O)=NCCC

Molecular Weight¹

215.33

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9101		Relay (1.0) Calculated Property
ΔvapH°	89.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.688		Crippen Calculated Property
McVol	197.360	ml/mol	McGowan Calculated Property
Pc	1743.37	kPa	Joback Calculated Property
Inp	[1628.00; 1628.00]
Inp	1628.00		NIST
Inp	1628.00		NIST
Tboil	552.51	K	Relay (1.0) Calculated Property
Tc	738.54	K	Relay (1.0) Calculated Property
Tfus	289.95	K	Relay (1.0) Calculated Property
Vc	0.758	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-propyl-, octyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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