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

InChI

InChI=1S/C23H43NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)26-22-6-4-2/h2H,3,5-22H2,1H3,(H,24,25)

InChI Key

XMCJICCUXMSKAG-UHFFFAOYSA-N

Formula

C23H43NO2

SMILES

C#CCCOC(=O)NCCCCCCCCCCCCCCCCCC

Molecular Weight¹

365.60

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	1.0595		Relay (1.0) Calculated Property
ΔfH°gas	-588.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.77	kJ/mol	Joback Calculated Property
ΔvapH°	128.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-7.40		Relay (1.0) Calculated Property
logPoct/wat	6.997		Crippen Calculated Property
McVol	343.750	ml/mol	McGowan Calculated Property
Pc	940.95	kPa	Joback Calculated Property
Inp	[2484.00; 2484.00]
Inp	2484.00		NIST
Inp	2484.00		NIST
Tboil	654.59	K	Relay (1.0) Calculated Property
Tc	850.59	K	Relay (1.0) Calculated Property
Tfus	327.84	K	Relay (1.0) Calculated Property
Vc	1.288	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.74; 1193.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.99590e+01
Coefficient B			2.11632e+00
Coefficient C			-1.17733e-03
Coefficient D			2.34290e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	514.74	J/mol×K	273.00	Calculated Property
Cp,gas	631.69	J/mol×K	353.78	Calculated Property
Cp,gas	736.52	J/mol×K	434.56	Calculated Property
Cp,gas	829.97	J/mol×K	515.33	Calculated Property
Cp,gas	912.79	J/mol×K	596.11	Calculated Property
Cp,gas	985.71	J/mol×K	676.89	Calculated Property
Cp,gas	1049.47	J/mol×K	757.67	Calculated Property
Cp,gas	1104.82	J/mol×K	838.44	Calculated Property
Cp,gas	1152.50	J/mol×K	919.22	Calculated Property
Cp,gas	1193.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-octadecyl-, 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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