Chemical Properties of Carbonic acid, monoamide, N-decyl-, but-3-yn-1-yl ester

InChI

InChI=1S/C15H27NO2/c1-3-5-7-8-9-10-11-12-13-16-15(17)18-14-6-4-2/h2H,3,5-14H2,1H3,(H,16,17)

InChI Key

PUNUFEULMONCLE-UHFFFAOYSA-N

Formula

C15H27NO2

SMILES

C#CCCOC(O)=NCCCCCCCCCC

Molecular Weight¹

253.38

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

Physical Properties

Property	Value	Unit	Source
ω	0.9194		Relay (1.0) Calculated Property
ΔfH°gas	-409.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	4.081		Crippen Calculated Property
McVol	231.030	ml/mol	McGowan Calculated Property
Pc	1556.12	kPa	Joback Calculated Property
Inp	[2134.00; 2134.00]
Inp	2134.00		NIST
Inp	2134.00		NIST
Tboil	600.83	K	Relay (1.0) Calculated Property
Tc	781.10	K	Relay (1.0) Calculated Property
Tfus	324.18	K	Relay (1.0) Calculated Property
Vc	0.846	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-decyl-, but-3-yn-1-yl ester.

Sources

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

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