Chemical Properties of cis-9-Hexadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C20H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21-20(2,3)18-22-19/h9-10H,4-8,11-18H2,1-3H3/b10-9-

InChI Key

BYFWBRIYEWDFSU-KTKRTIGZSA-N

Formula

C20H37NO

SMILES

CCCCCCC=CCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

307.51

• 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°	279.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-277.91	kJ/mol	Joback Calculated Property
ΔfusH°	49.34	kJ/mol	Joback Calculated Property
ΔvapH°	70.85	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	6.451		Crippen Calculated Property
McVol	289.050	ml/mol	McGowan Calculated Property
Pc	1232.88	kPa	Joback Calculated Property
Inp	[2104.00; 2104.00]
Inp	2104.00		NIST
Inp	2104.00		NIST
Tboil	761.47	K	Joback Calculated Property
Tc	955.44	K	Joback Calculated Property
Tfus	456.27	K	Joback Calculated Property
Vc	1.131	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.91; 1026.39]	J/mol×K	[761.47; 955.44]
Cp,gas	908.91	J/mol×K	761.47	Joback Calculated Property
Cp,gas	930.22	J/mol×K	793.80	Joback Calculated Property
Cp,gas	950.69	J/mol×K	826.13	Joback Calculated Property
Cp,gas	970.44	J/mol×K	858.46	Joback Calculated Property
Cp,gas	989.57	J/mol×K	890.78	Joback Calculated Property
Cp,gas	1008.19	J/mol×K	923.11	Joback Calculated Property
Cp,gas	1026.39	J/mol×K	955.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-9-Hexadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

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

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