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

InChI

InChI=1S/C26H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-26(2,3)24-28-25/h4-24H2,1-3H3

InChI Key

OMFOMKLQJDKYOQ-UHFFFAOYSA-N

Formula

C26H51NO

SMILES

CCCCCCCCCCCCCCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

393.69

• 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	1.0581		Relay (1.0) Calculated Property
ΔfG°	250.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.68	kJ/mol	Joback Calculated Property
ΔvapH°	120.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-8.34		Relay (1.0) Calculated Property
logPoct/wat	9.016		Crippen Calculated Property
McVol	377.890	ml/mol	McGowan Calculated Property
Pc	827.64	kPa	Joback Calculated Property
Inp	[2725.60; 2725.60]
Inp	2725.60		NIST
Inp	2725.60		NIST
Tboil	634.77	K	Relay (1.0) Calculated Property
Tc	851.17	K	Relay (1.0) Calculated Property
Tfus	315.55	K	Relay (1.0) Calculated Property
Vc	1.479	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1315.57; 1454.82]	J/mol×K	[894.59; 1095.55]
Cp,gas	1315.57	J/mol×K	894.59	Joback Calculated Property
Cp,gas	1340.41	J/mol×K	928.08	Joback Calculated Property
Cp,gas	1364.43	J/mol×K	961.58	Joback Calculated Property
Cp,gas	1387.76	J/mol×K	995.07	Joback Calculated Property
Cp,gas	1410.52	J/mol×K	1028.56	Joback Calculated Property
Cp,gas	1432.83	J/mol×K	1062.05	Joback Calculated Property
Cp,gas	1454.82	J/mol×K	1095.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Behenic 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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