Chemical Properties of cis-10-Heptadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h9-10H,4-8,11-19H2,1-3H3/b10-9-

InChI Key

HMKQVZSFQFGNGC-KTKRTIGZSA-N

Formula

C21H39NO

SMILES

CCCCCCC=CCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

321.54

• 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°	288.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-298.55	kJ/mol	Joback Calculated Property
ΔfusH°	51.94	kJ/mol	Joback Calculated Property
ΔvapH°	73.08	kJ/mol	Joback Calculated Property
log10WS	-7.22		Crippen Calculated Property
logPoct/wat	6.841		Crippen Calculated Property
McVol	303.140	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[2212.10; 2212.10]
Inp	2212.10		NIST
Inp	2212.10		NIST
Tboil	784.35	K	Joback Calculated Property
Tc	978.06	K	Joback Calculated Property
Tfus	467.54	K	Joback Calculated Property
Vc	1.187	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.96; 1090.04]	J/mol×K	[784.35; 978.06]
Cp,gas	969.96	J/mol×K	784.35	Joback Calculated Property
Cp,gas	991.63	J/mol×K	816.63	Joback Calculated Property
Cp,gas	1012.50	J/mol×K	848.92	Joback Calculated Property
Cp,gas	1032.67	J/mol×K	881.20	Joback Calculated Property
Cp,gas	1052.24	J/mol×K	913.49	Joback Calculated Property
Cp,gas	1071.33	J/mol×K	945.77	Joback Calculated Property
Cp,gas	1090.04	J/mol×K	978.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-10-Heptadecenoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

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

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