Chemical Properties of cis-5-Dodecenoic acid, 4,4-Dimethyloxazoline (DMOX) derivative

InChI

InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h9-10H,4-8,11-14H2,1-3H3/b10-9-

InChI Key

QEHKFZIOHYDWJH-KTKRTIGZSA-N

Formula

C16H29NO

SMILES

CCCCCCC=CCCCC1=NC(C)(C)CO1

Molecular Weight¹

251.41

• 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	0.6197		Relay (1.0) Calculated Property
ΔfG°	246.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-374.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.98	kJ/mol	Joback Calculated Property
ΔvapH°	76.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	232.690	ml/mol	McGowan Calculated Property
Pc	1647.09	kPa	Joback Calculated Property
Inp	[1697.90; 1698.10]
Inp	1697.90		NIST
Inp	1698.10		NIST
Inp	1697.90		NIST
Tboil	559.69	K	Relay (1.0) Calculated Property
Tc	761.86	K	Relay (1.0) Calculated Property
Tfus	251.71	K	Relay (1.0) Calculated Property
Vc	0.868	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.57; 783.77]	J/mol×K	[669.95; 870.09]
Cp,gas	675.57	J/mol×K	669.95	Joback Calculated Property
Cp,gas	695.60	J/mol×K	703.31	Joback Calculated Property
Cp,gas	714.69	J/mol×K	736.66	Joback Calculated Property
Cp,gas	732.95	J/mol×K	770.02	Joback Calculated Property
Cp,gas	750.48	J/mol×K	803.38	Joback Calculated Property
Cp,gas	767.39	J/mol×K	836.73	Joback Calculated Property
Cp,gas	783.77	J/mol×K	870.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-5-Dodecenoic 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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