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_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
ΔfH°gas	-509.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.76	kJ/mol	Joback Calculated Property
ΔvapH°	96.13	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	1382.99	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	744.05	K	Relay (1.0) Calculated Property
Tfus	266.07	K	Relay (1.0) Calculated Property
Vc	0.851	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	[660.36; 751.61]	J/mol×K	[659.26; 839.54]
Cp,gas	660.36	J/mol×K	659.26	Joback Calculated Property
Cp,gas	677.61	J/mol×K	689.31	Joback Calculated Property
Cp,gas	693.99	J/mol×K	719.35	Joback Calculated Property
Cp,gas	709.53	J/mol×K	749.40	Joback Calculated Property
Cp,gas	724.29	J/mol×K	779.45	Joback Calculated Property
Cp,gas	738.30	J/mol×K	809.49	Joback Calculated Property
Cp,gas	751.61	J/mol×K	839.54	Joback Calculated Property
η	[0.0000619; 0.0028976]	Pa×s	[308.44; 659.26]
η	0.0028976	Pa×s	308.44	Joback Calculated Property
η	0.0009157	Pa×s	366.91	Joback Calculated Property
η	0.0003972	Pa×s	425.38	Joback Calculated Property
η	0.0002108	Pa×s	483.85	Joback Calculated Property
η	0.0001283	Pa×s	542.32	Joback Calculated Property
η	0.0000860	Pa×s	600.79	Joback Calculated Property
η	0.0000619	Pa×s	659.26	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

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