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

InChI

InChI=1S/C16H29NO2/c1-3-5-7-8-9-10-11-12-13-14-17-16(18)19-15-6-4-2/h2H,3,5-15H2,1H3,(H,17,18)

InChI Key

ZHRDNAAQVZEPNF-UHFFFAOYSA-N

Formula

C16H29NO2

SMILES

C#CCCOC(=O)NCCCCCCCCCCC

Molecular Weight¹

267.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	162.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-273.00	kJ/mol	Joback Calculated Property
ΔfusH°	48.06	kJ/mol	Joback Calculated Property
ΔvapH°	66.66	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.267		Crippen Calculated Property
McVol	245.120	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[2339.00; 2339.00]
Inp	2339.00		NIST
Inp	2339.00		NIST
Tboil	682.06	K	Joback Calculated Property
Tc	859.54	K	Joback Calculated Property
Tfus	441.87	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[690.38; 779.00]	J/mol×K	[682.06; 859.54]
Cp,gas	690.38	J/mol×K	682.06	Joback Calculated Property
Cp,gas	707.06	J/mol×K	711.64	Joback Calculated Property
Cp,gas	722.95	J/mol×K	741.22	Joback Calculated Property
Cp,gas	738.06	J/mol×K	770.80	Joback Calculated Property
Cp,gas	752.43	J/mol×K	800.38	Joback Calculated Property
Cp,gas	766.07	J/mol×K	829.96	Joback Calculated Property
Cp,gas	779.00	J/mol×K	859.54	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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