Chemical Properties of 9,12-Octadecadienoic acid, methyl ester (CAS 2462-85-3)

InChI

InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3

InChI Key

WTTJVINHCBCLGX-UHFFFAOYSA-N

Formula

C19H34O2

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC

Molecular Weight¹

294.47

CAS

2462-85-3

Other Names

• 9,12-Octadecenoic acid, methyl ester
• Methyl octadeca-9,12-dienoate
• Methyl 9,12-octadecadienoate
• 9,12-Octadecadienoic acid
• octadeca-9,12-dienoic acid

• 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).
• 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.
• I : 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°	35.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-445.85	kJ/mol	Joback Calculated Property
ΔfusH°	48.16	kJ/mol	Joback Calculated Property
ΔvapH°	66.96	kJ/mol	Joback Calculated Property
log10WS	-6.35		Crippen Calculated Property
logPoct/wat	5.973		Crippen Calculated Property
McVol	277.410	ml/mol	McGowan Calculated Property
Pc	1195.65	kPa	Joback Calculated Property
Inp	[356.30; 2147.00]
Inp	2077.00		NIST
Inp	2069.00		NIST
Inp	2101.00		NIST
Inp	2101.00		NIST
Inp	2101.00		NIST
Inp	2075.00		NIST
Inp	2094.00		NIST
Inp	2092.00		NIST
Inp	2075.00		NIST
Inp	2147.00		NIST
Inp	2077.00		NIST
Inp	2077.00		NIST
Inp	2064.00		NIST
Inp	2111.00		NIST
Inp	2101.00		NIST
Inp	2113.00		NIST
Inp	Outlier 356.30		NIST
Inp	2101.00		NIST
Inp	2092.00		NIST
Inp	2069.00		NIST
Inp	Outlier 356.30		NIST
I	[2472.00; 2478.00]
I	2478.00		NIST
I	2472.00		NIST
Tboil	718.73	K	Joback Calculated Property
Tc	896.01	K	Joback Calculated Property
Tfus	365.89	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.45; 900.71]	J/mol×K	[718.73; 896.01]
Cp,gas	803.45	J/mol×K	718.73	Joback Calculated Property
Cp,gas	821.70	J/mol×K	748.28	Joback Calculated Property
Cp,gas	839.08	J/mol×K	777.82	Joback Calculated Property
Cp,gas	855.63	J/mol×K	807.37	Joback Calculated Property
Cp,gas	871.40	J/mol×K	836.92	Joback Calculated Property
Cp,gas	886.41	J/mol×K	866.47	Joback Calculated Property
Cp,gas	900.71	J/mol×K	896.01	Joback Calculated Property
η	[0.0000626; 0.0016090]	Pa×s	[365.89; 718.73]
η	0.0016090	Pa×s	365.89	Joback Calculated Property
η	0.0006439	Pa×s	424.70	Joback Calculated Property
η	0.0003219	Pa×s	483.50	Joback Calculated Property
η	0.0001871	Pa×s	542.31	Joback Calculated Property
η	0.0001209	Pa×s	601.12	Joback Calculated Property
η	0.0000845	Pa×s	659.92	Joback Calculated Property
η	0.0000626	Pa×s	718.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.