Chemical Properties of 17-Octadecynoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h1H,5-20H2,2-3H3

InChI Key

OZWNNKSXUFZEAK-UHFFFAOYSA-N

Formula

C22H39NO

SMILES

C#CCCCCCCCCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

333.55

• 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	0.8432		Relay (1.0) Calculated Property
ΔfG°	439.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-315.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.30	kJ/mol	Joback Calculated Property
ΔvapH°	107.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-6.59		Relay (1.0) Calculated Property
logPoct/wat	6.678		Crippen Calculated Property
McVol	312.930	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[2349.60; 2349.60]
Inp	2349.60		NIST
Inp	2349.60		NIST
Tboil	635.02	K	Relay (1.0) Calculated Property
Tc	843.09	K	Relay (1.0) Calculated Property
Tfus	319.07	K	Relay (1.0) Calculated Property
Vc	1.176	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1000.54; 1120.45]	J/mol×K	[793.19; 988.31]
Cp,gas	1000.54	J/mol×K	793.19	Joback Calculated Property
Cp,gas	1022.19	J/mol×K	825.71	Joback Calculated Property
Cp,gas	1043.03	J/mol×K	858.23	Joback Calculated Property
Cp,gas	1063.17	J/mol×K	890.75	Joback Calculated Property
Cp,gas	1082.72	J/mol×K	923.27	Joback Calculated Property
Cp,gas	1101.78	J/mol×K	955.79	Joback Calculated Property
Cp,gas	1120.45	J/mol×K	988.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 17-Octadecynoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

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

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