Chemical Properties of cis-6-Octadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C22H41NO/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/h14-15H,4-13,16-20H2,1-3H3/b15-14-

InChI Key

DRZXDIIPVYWZEM-PFONDFGASA-N

Formula

C22H41NO

SMILES

CCCCCCCCCCCC=CCCCCC1=NC(C)(C)CO1

Molecular Weight¹

335.57

• 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°	296.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.19	kJ/mol	Joback Calculated Property
ΔfusH°	54.52	kJ/mol	Joback Calculated Property
ΔvapH°	75.30	kJ/mol	Joback Calculated Property
log10WS	-7.64		Crippen Calculated Property
logPoct/wat	7.231		Crippen Calculated Property
McVol	317.230	ml/mol	McGowan Calculated Property
Pc	1082.06	kPa	Joback Calculated Property
Inp	[2299.00; 2299.00]
Inp	2299.00		NIST
Inp	2299.00		NIST
Tboil	807.23	K	Joback Calculated Property
Tc	1001.28	K	Joback Calculated Property
Tfus	478.81	K	Joback Calculated Property
Vc	1.242	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1032.00; 1154.95]	J/mol×K	[807.23; 1001.28]
Cp,gas	1032.00	J/mol×K	807.23	Joback Calculated Property
Cp,gas	1054.08	J/mol×K	839.57	Joback Calculated Property
Cp,gas	1075.38	J/mol×K	871.91	Joback Calculated Property
Cp,gas	1096.01	J/mol×K	904.26	Joback Calculated Property
Cp,gas	1116.07	J/mol×K	936.60	Joback Calculated Property
Cp,gas	1135.68	J/mol×K	968.94	Joback Calculated Property
Cp,gas	1154.95	J/mol×K	1001.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-6-Octadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

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

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