Chemical Properties of cis-15-Tetracosenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C28H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-28(2,3)26-30-27/h11-12H,4-10,13-26H2,1-3H3/b12-11-

InChI Key

JHOIBVDGYFJMIL-QXMHVHEDSA-N

Formula

C28H53NO

SMILES

CCCCCCCCC=CCCCCCCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

419.73

• 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	1.0524		Relay (1.0) Calculated Property
ΔfG°	347.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-627.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.07	kJ/mol	Joback Calculated Property
ΔvapH°	126.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-8.47		Relay (1.0) Calculated Property
logPoct/wat	9.572		Crippen Calculated Property
McVol	401.770	ml/mol	McGowan Calculated Property
Pc	764.79	kPa	Joback Calculated Property
Inp	[2908.20; 2908.20]
Inp	2908.20		NIST
Inp	2908.20		NIST
Tboil	653.20	K	Relay (1.0) Calculated Property
Tc	866.05	K	Relay (1.0) Calculated Property
Tfus	297.72	K	Relay (1.0) Calculated Property
Vc	1.532	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1422.80; 1573.80]	J/mol×K	[944.51; 1156.50]
Cp,gas	1422.80	J/mol×K	944.51	Joback Calculated Property
Cp,gas	1449.06	J/mol×K	979.84	Joback Calculated Property
Cp,gas	1474.67	J/mol×K	1015.17	Joback Calculated Property
Cp,gas	1499.78	J/mol×K	1050.50	Joback Calculated Property
Cp,gas	1524.56	J/mol×K	1085.84	Joback Calculated Property
Cp,gas	1549.18	J/mol×K	1121.17	Joback Calculated Property
Cp,gas	1573.80	J/mol×K	1156.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-15-Tetracosenoic 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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