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

• 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°	439.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-144.51	kJ/mol	Joback Calculated Property
ΔfusH°	57.30	kJ/mol	Joback Calculated Property
ΔvapH°	75.20	kJ/mol	Joback Calculated Property
log10WS	-7.58		Crippen 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	793.19	K	Joback Calculated Property
Tc	988.31	K	Joback Calculated Property
Tfus	530.86	K	Joback Calculated Property
Vc	1.224	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.