Chemical Properties of 9,12,15-Octadecatrienoic acid, methyl ester (CAS 7361-80-0)

InChI

InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4+,8-7+,11-10+

InChI Key

DVWSXZIHSUZZKJ-JSIPCRQOSA-N

Formula

C19H32O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OC

Molecular Weight¹

292.46

CAS

7361-80-0

Other Names

• Methyl 9,12,15-octadecatrienoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6811		Relay (1.0) Calculated Property
ΔfG°	115.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-552.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.36	kJ/mol	Joback Calculated Property
ΔvapH°	102.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.749		Crippen Calculated Property
McVol	273.110	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	[2079.00; 2086.00]
Inp	2079.00		NIST
Inp	2086.00		NIST
Inp	2085.00		NIST
Inp	2086.00		NIST
Tboil	582.18	K	Relay (1.0) Calculated Property
Tc	761.36	K	Relay (1.0) Calculated Property
Tfus	278.43	K	Relay (1.0) Calculated Property
Vc	0.955	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.46; 875.18]	J/mol×K	[722.89; 904.64]
Cp,gas	780.46	J/mol×K	722.89	Joback Calculated Property
Cp,gas	798.24	J/mol×K	753.18	Joback Calculated Property
Cp,gas	815.15	J/mol×K	783.47	Joback Calculated Property
Cp,gas	831.25	J/mol×K	813.77	Joback Calculated Property
Cp,gas	846.59	J/mol×K	844.06	Joback Calculated Property
Cp,gas	861.21	J/mol×K	874.35	Joback Calculated Property
Cp,gas	875.18	J/mol×K	904.64	Joback Calculated Property
η	[0.0000541; 0.0015069]	Pa×s	[360.81; 722.89]
η	0.0015069	Pa×s	360.81	Joback Calculated Property
η	0.0005818	Pa×s	421.16	Joback Calculated Property
η	0.0002851	Pa×s	481.50	Joback Calculated Property
η	0.0001638	Pa×s	541.85	Joback Calculated Property
η	0.0001052	Pa×s	602.20	Joback Calculated Property
η	0.0000732	Pa×s	662.54	Joback Calculated Property
η	0.0000541	Pa×s	722.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,12,15-Octadecatrienoic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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