Chemical Properties of 5,8,11-Heptadecatrienoic acid, methyl ester (CAS 22117-08-4)

InChI

InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-17H2,1-2H3/b8-7+,11-10+,14-13+

InChI Key

SINQXHSEFNZZNO-SPOHZTNBSA-N

Formula

C18H30O2

SMILES

CCCCCC=CCC=CCC=CCCCC(=O)OC

Molecular Weight¹

278.43

CAS

22117-08-4

Other Names

• methyl 5,8,11-heptadecatrienoate

• 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	0.6339		Relay (1.0) Calculated Property
ΔfG°	30.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.35	kJ/mol	Joback Calculated Property
ΔvapH°	100.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-5.16		Relay (1.0) Calculated Property
logPoct/wat	5.359		Crippen Calculated Property
McVol	259.020	ml/mol	McGowan Calculated Property
Pc	1289.29	kPa	Joback Calculated Property
I	[2525.00; 2525.00]
I	2525.00		NIST
I	2525.00		NIST
Tboil	572.61	K	Relay (1.0) Calculated Property
Tc	753.47	K	Relay (1.0) Calculated Property
Tfus	266.91	K	Relay (1.0) Calculated Property
Vc	0.904	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[715.94; 809.18]	J/mol×K	[682.14; 861.70]
Cp,gas	715.94	J/mol×K	682.14	Joback Calculated Property
Cp,gas	733.55	J/mol×K	712.07	Joback Calculated Property
Cp,gas	750.27	J/mol×K	741.99	Joback Calculated Property
Cp,gas	766.15	J/mol×K	771.92	Joback Calculated Property
Cp,gas	781.23	J/mol×K	801.85	Joback Calculated Property
Cp,gas	795.56	J/mol×K	831.77	Joback Calculated Property
Cp,gas	809.18	J/mol×K	861.70	Joback Calculated Property
η	[0.0000547; 0.0026020]	Pa×s	[319.71; 682.14]
η	0.0026020	Pa×s	319.71	Joback Calculated Property
η	0.0008198	Pa×s	380.11	Joback Calculated Property
η	0.0003545	Pa×s	440.52	Joback Calculated Property
η	0.0001877	Pa×s	500.92	Joback Calculated Property
η	0.0001139	Pa×s	561.33	Joback Calculated Property
η	0.0000762	Pa×s	621.73	Joback Calculated Property
η	0.0000547	Pa×s	682.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,8,11-Heptadecatrienoic acid, methyl ester.

Sources

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

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