Chemical Properties of 7,10,13-Hexadecatrienoic acid, methyl ester (CAS 56554-30-4)

InChI

InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11H,3,6,9,12-16H2,1-2H3/b5-4+,8-7+,11-10+

InChI Key

DUOCBVNCDAEWTB-JSIPCRQOSA-N

Formula

C17H28O2

SMILES

CCC=CCC=CCC=CCCCCCC(=O)OC

Molecular Weight¹

264.40

CAS

56554-30-4

Other Names

• Methyl 7,10,13-hexadecatrienoate

• 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 : 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	0.5968		Relay (1.0) Calculated Property
ΔfG°	99.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-509.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.18	kJ/mol	Joback Calculated Property
ΔvapH°	94.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	4.969		Crippen Calculated Property
McVol	244.930	ml/mol	McGowan Calculated Property
Pc	1426.15	kPa	Joback Calculated Property
I	[2325.00; 2380.00]
I	2380.00		NIST
I	2325.00		NIST
I	2380.00		NIST
Tboil	562.48	K	Relay (1.0) Calculated Property
Tc	739.90	K	Relay (1.0) Calculated Property
Tfus	268.19	K	Relay (1.0) Calculated Property
Vc	0.847	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.53; 758.01]	J/mol×K	[677.13; 859.74]
Cp,gas	667.53	J/mol×K	677.13	Joback Calculated Property
Cp,gas	684.55	J/mol×K	707.56	Joback Calculated Property
Cp,gas	700.73	J/mol×K	738.00	Joback Calculated Property
Cp,gas	716.12	J/mol×K	768.43	Joback Calculated Property
Cp,gas	730.77	J/mol×K	798.87	Joback Calculated Property
Cp,gas	744.71	J/mol×K	829.30	Joback Calculated Property
Cp,gas	758.01	J/mol×K	859.74	Joback Calculated Property
η	[0.0000690; 0.0018095]	Pa×s	[338.27; 677.13]
η	0.0018095	Pa×s	338.27	Joback Calculated Property
η	0.0007111	Pa×s	394.75	Joback Calculated Property
η	0.0003531	Pa×s	451.22	Joback Calculated Property
η	0.0002049	Pa×s	507.70	Joback Calculated Property
η	0.0001325	Pa×s	564.18	Joback Calculated Property
η	0.0000928	Pa×s	620.65	Joback Calculated Property
η	0.0000690	Pa×s	677.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7,10,13-Hexadecatrienoic 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.