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

InChI

InChI=1S/C15H31NO2/c1-3-5-7-9-10-12-14-18-15(17)16-13-11-8-6-4-2/h3-14H2,1-2H3,(H,16,17)

InChI Key

RURCHJQJCVWZIA-UHFFFAOYSA-N

Formula

C15H31NO2

SMILES

CCCCCCCCOC(O)=NCCCCCC

Molecular Weight¹

257.41

• 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	1.0147		Relay (1.0) Calculated Property
ΔvapH°	102.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.858		Crippen Calculated Property
McVol	239.630	ml/mol	McGowan Calculated Property
Pc	1389.18	kPa	Joback Calculated Property
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	578.76	K	Relay (1.0) Calculated Property
Tc	774.28	K	Relay (1.0) Calculated Property
Tfus	311.93	K	Relay (1.0) Calculated Property
Vc	0.923	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-hexyl-, octyl ester.

Sources

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

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