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_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
ΔfH°gas	-552.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.94	kJ/mol	Joback Calculated Property
ΔvapH°	104.23	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	1204.80	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
Inp	2079.00		NIST
Tboil	582.18	K	Relay (1.0) Calculated Property
Tc	765.39	K	Relay (1.0) Calculated Property
Tfus	275.26	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[772.68; 867.82]	J/mol×K	[705.02; 884.30]
Cp,gas	772.68	J/mol×K	705.02	Joback Calculated Property
Cp,gas	790.63	J/mol×K	734.90	Joback Calculated Property
Cp,gas	807.68	J/mol×K	764.78	Joback Calculated Property
Cp,gas	823.88	J/mol×K	794.66	Joback Calculated Property
Cp,gas	839.27	J/mol×K	824.54	Joback Calculated Property
Cp,gas	853.90	J/mol×K	854.42	Joback Calculated Property
Cp,gas	867.82	J/mol×K	884.30	Joback Calculated Property
η	[0.0000482; 0.0023243]	Pa×s	[330.98; 705.02]
η	0.0023243	Pa×s	330.98	Joback Calculated Property
η	0.0007302	Pa×s	393.32	Joback Calculated Property
η	0.0003149	Pa×s	455.66	Joback Calculated Property
η	0.0001663	Pa×s	518.00	Joback Calculated Property
η	0.0001007	Pa×s	580.34	Joback Calculated Property
η	0.0000672	Pa×s	642.68	Joback Calculated Property
η	0.0000482	Pa×s	705.02	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.