Chemical Properties of Carbonic acid, monoamide, N-2-ethylhexyl-, but-3-yn-1-yl ester

InChI

InChI=1S/C13H23NO2/c1-4-7-9-12(6-3)11-14-13(15)16-10-8-5-2/h2,12H,4,6-11H2,1,3H3,(H,14,15)

InChI Key

XUPTYRDWCNUOHZ-UHFFFAOYSA-N

Formula

C13H23NO2

SMILES

C#CCCOC(=O)NCC(CC)CCCC

Molecular Weight¹

225.33

• ω : Acentric Factor.
• 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).
• 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	0.6416		Relay (1.0) Calculated Property
ΔfG°	134.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-384.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.76	kJ/mol	Joback Calculated Property
ΔvapH°	84.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	2.952		Crippen Calculated Property
McVol	202.850	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[1729.00; 1729.00]
Inp	1729.00		NIST
Inp	1729.00		NIST
Tboil	560.22	K	Relay (1.0) Calculated Property
Tc	742.88	K	Relay (1.0) Calculated Property
Tfus	265.84	K	Relay (1.0) Calculated Property
Vc	0.695	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.97; 612.44]	J/mol×K	[612.98; 796.19]
Cp,gas	529.97	J/mol×K	612.98	Joback Calculated Property
Cp,gas	545.48	J/mol×K	643.52	Joback Calculated Property
Cp,gas	560.26	J/mol×K	674.05	Joback Calculated Property
Cp,gas	574.33	J/mol×K	704.59	Joback Calculated Property
Cp,gas	587.71	J/mol×K	735.12	Joback Calculated Property
Cp,gas	600.40	J/mol×K	765.66	Joback Calculated Property
Cp,gas	612.44	J/mol×K	796.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-2-ethylhexyl-, 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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