Chemical Properties of 9-Octadecenoic acid, methyl ester (CAS 2462-84-2)

InChI

InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+

InChI Key

QYDYPVFESGNLHU-ZHACJKMWSA-N

Formula

C19H36O2

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OC

Molecular Weight¹

296.49

CAS

2462-84-2

Other Names

• Methyl 9-octadecenoate
• 18:1n-9 methyl ester
• Methyl octadec-9-enoate

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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.
• 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
ω	0.8479		Relay (1.0) Calculated Property
ΔcH°liquid	-11852.00	kJ/mol	NIST
ΔfG°	-121.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-681.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.54	kJ/mol	Joback Calculated Property
ΔvapH°	103.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-6.30		Relay (1.0) Calculated Property
logPoct/wat	6.197		Crippen Calculated Property
McVol	281.710	ml/mol	McGowan Calculated Property
Pc	1122.31	kPa	Joback Calculated Property
Inp	[2075.00; 2107.00]
Inp	2082.00		NIST
Inp	2087.00		NIST
Inp	2087.00		NIST
Inp	2075.00		NIST
Inp	2101.00		NIST
Inp	2107.00		NIST
Inp	2082.00		NIST
I	[2424.00; 2466.00]
I	2466.00		NIST
I	2424.00		NIST
I	2466.00		NIST
Tboil	585.22	K	Relay (1.0) Calculated Property
Tc	771.97	K	Relay (1.0) Calculated Property
Tfus	279.03	K	Relay (1.0) Calculated Property
Vc	1.068	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[817.31; 917.83]	J/mol×K	[696.70; 867.19]
Cp,gas	817.31	J/mol×K	696.70	Joback Calculated Property
Cp,gas	836.20	J/mol×K	725.12	Joback Calculated Property
Cp,gas	854.19	J/mol×K	753.53	Joback Calculated Property
Cp,gas	871.33	J/mol×K	781.95	Joback Calculated Property
Cp,gas	887.63	J/mol×K	810.36	Joback Calculated Property
Cp,gas	903.12	J/mol×K	838.78	Joback Calculated Property
Cp,gas	917.83	J/mol×K	867.19	Joback Calculated Property
η	[0.0000647; 0.0025879]	Pa×s	[341.14; 696.70]
η	0.0025879	Pa×s	341.14	Joback Calculated Property
η	0.0008880	Pa×s	400.40	Joback Calculated Property
η	0.0004015	Pa×s	459.66	Joback Calculated Property
η	0.0002176	Pa×s	518.92	Joback Calculated Property
η	0.0001337	Pa×s	578.18	Joback Calculated Property
η	0.0000900	Pa×s	637.44	Joback Calculated Property
η	0.0000647	Pa×s	696.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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