Chemical Properties of 10,12-Tricosadiynoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C27H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-27(2,3)25-29-26/h4-12,17-25H2,1-3H3

InChI Key

LCSZIPJVAPVYFJ-UHFFFAOYSA-N

Formula

C27H45NO

SMILES

CCCCCCCCCCC#CC#CCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

399.65

• 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	0.8867		Relay (1.0) Calculated Property
ΔfG°	664.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-134.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.52	kJ/mol	Joback Calculated Property
ΔvapH°	117.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-7.56		Relay (1.0) Calculated Property
logPoct/wat	7.852		Crippen Calculated Property
McVol	374.780	ml/mol	McGowan Calculated Property
Pc	945.58	kPa	Joback Calculated Property
Inp	[3006.90; 3006.90]
Inp	3006.90		NIST
Inp	3006.90		NIST
Tboil	639.04	K	Relay (1.0) Calculated Property
Tc	861.95	K	Relay (1.0) Calculated Property
Tfus	314.77	K	Relay (1.0) Calculated Property
Vc	1.405	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1277.57; 1415.70]	J/mol×K	[935.47; 1151.07]
Cp,gas	1277.57	J/mol×K	935.47	Joback Calculated Property
Cp,gas	1301.73	J/mol×K	971.40	Joback Calculated Property
Cp,gas	1325.24	J/mol×K	1007.34	Joback Calculated Property
Cp,gas	1348.25	J/mol×K	1043.27	Joback Calculated Property
Cp,gas	1370.90	J/mol×K	1079.20	Joback Calculated Property
Cp,gas	1393.34	J/mol×K	1115.13	Joback Calculated Property
Cp,gas	1415.70	J/mol×K	1151.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 10,12-Tricosadiynoic 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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