Chemical Properties of cis-13-Eicosenoic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C24H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h9-10H,4-8,11-22H2,1-3H3/b10-9-

InChI Key

RRQQGMJTXGRWPL-KTKRTIGZSA-N

Formula

C24H45NO

SMILES

CCCCCCC=CCCCCCCCCCCCC1=NC(C)(C)CO1

Molecular Weight¹

363.62

• 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°	313.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.47	kJ/mol	Joback Calculated Property
ΔfusH°	59.70	kJ/mol	Joback Calculated Property
ΔvapH°	79.76	kJ/mol	Joback Calculated Property
log10WS	-8.48		Crippen Calculated Property
logPoct/wat	8.011		Crippen Calculated Property
McVol	345.410	ml/mol	McGowan Calculated Property
Pc	957.32	kPa	Joback Calculated Property
Inp	[2510.00; 2510.00]
Inp	2510.00		NIST
Inp	2510.00		NIST
Tboil	852.99	K	Joback Calculated Property
Tc	1049.76	K	Joback Calculated Property
Tfus	501.35	K	Joback Calculated Property
Vc	1.355	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1158.87; 1288.71]	J/mol×K	[852.99; 1049.76]
Cp,gas	1158.87	J/mol×K	852.99	Joback Calculated Property
Cp,gas	1181.96	J/mol×K	885.79	Joback Calculated Property
Cp,gas	1204.31	J/mol×K	918.58	Joback Calculated Property
Cp,gas	1226.04	J/mol×K	951.38	Joback Calculated Property
Cp,gas	1247.27	J/mol×K	984.17	Joback Calculated Property
Cp,gas	1268.12	J/mol×K	1016.97	Joback Calculated Property
Cp,gas	1288.71	J/mol×K	1049.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-13-Eicosenoic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

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

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