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

InChI

InChI=1S/C13H23NO2/c1-3-5-7-8-9-10-11-14-13(15)16-12-6-4-2/h2H,3,5-12H2,1H3,(H,14,15)

InChI Key

QFHHNHYYNSHSIW-UHFFFAOYSA-N

Formula

C13H23NO2

SMILES

C#CCCOC(=O)NCCCCCCCC

Molecular Weight¹

225.33

• 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°	137.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.08	kJ/mol	Joback Calculated Property
ΔfusH°	40.29	kJ/mol	Joback Calculated Property
ΔvapH°	59.98	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.096		Crippen Calculated Property
McVol	202.850	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[1930.00; 1930.00]
Inp	1930.00		NIST
Inp	1930.00		NIST
Tboil	613.42	K	Joback Calculated Property
Tc	793.56	K	Joback Calculated Property
Tfus	408.06	K	Joback Calculated Property
Vc	0.784	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.57; 610.68]	J/mol×K	[613.42; 793.56]
Cp,gas	529.57	J/mol×K	613.42	Joback Calculated Property
Cp,gas	544.78	J/mol×K	643.44	Joback Calculated Property
Cp,gas	559.29	J/mol×K	673.47	Joback Calculated Property
Cp,gas	573.12	J/mol×K	703.49	Joback Calculated Property
Cp,gas	586.28	J/mol×K	733.51	Joback Calculated Property
Cp,gas	598.79	J/mol×K	763.53	Joback Calculated Property
Cp,gas	610.68	J/mol×K	793.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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