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

InChI

InChI=1S/C23H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-23(2,3)21-25-22/h11-12H,4-10,13-21H2,1-3H3/b12-11-

InChI Key

IDKXOHTUQXKKIK-QXMHVHEDSA-N

Formula

C23H43NO

SMILES

CCCCCCCCC=CCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

349.59

• 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	0.8766		Relay (1.0) Calculated Property
ΔfG°	305.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-521.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.11	kJ/mol	Joback Calculated Property
ΔvapH°	105.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-6.92		Relay (1.0) Calculated Property
logPoct/wat	7.621		Crippen Calculated Property
McVol	331.320	ml/mol	McGowan Calculated Property
Pc	1016.83	kPa	Joback Calculated Property
Inp	[2404.40; 2404.40]
Inp	2404.40		NIST
Inp	2404.40		NIST
Tboil	620.47	K	Relay (1.0) Calculated Property
Tc	828.72	K	Relay (1.0) Calculated Property
Tfus	283.25	K	Relay (1.0) Calculated Property
Vc	1.254	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1094.98; 1221.16]	J/mol×K	[830.11; 1025.16]
Cp,gas	1094.98	J/mol×K	830.11	Joback Calculated Property
Cp,gas	1117.53	J/mol×K	862.62	Joback Calculated Property
Cp,gas	1139.32	J/mol×K	895.13	Joback Calculated Property
Cp,gas	1160.47	J/mol×K	927.64	Joback Calculated Property
Cp,gas	1181.08	J/mol×K	960.15	Joback Calculated Property
Cp,gas	1201.27	J/mol×K	992.66	Joback Calculated Property
Cp,gas	1221.16	J/mol×K	1025.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-10-Nonadecenoic 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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