Chemical Properties of Octadeca-9,12,15-trienoic acid tetradecyl ester,Z,Z,Z

InChI

InChI=1S/C32H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16,19-31H2,1-2H3/b7-5-,13-11-,18-17-

InChI Key

LNZYYCFZPLZOEF-SVNQLWEDSA-N

Formula

C32H58O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCC

Molecular Weight¹

474.80

• 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_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	1.1562		Relay (1.0) Calculated Property
ΔfG°	225.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-841.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	82.03	kJ/mol	Joback Calculated Property
ΔvapH°	143.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-9.36		Relay (1.0) Calculated Property
logPoct/wat	10.820		Crippen Calculated Property
McVol	456.280	ml/mol	McGowan Calculated Property
Pc	598.38	kPa	Joback Calculated Property
Inp	[3322.43; 3322.43]
Inp	3322.43		NIST
Inp	3322.43		NIST
Tboil	678.03	K	Relay (1.0) Calculated Property
Tc	862.02	K	Relay (1.0) Calculated Property
Tfus	293.95	K	Relay (1.0) Calculated Property
Vc	1.667	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1599.62; 1741.54]	J/mol×K	[1020.33; 1268.87]
Cp,gas	1599.62	J/mol×K	1020.33	Joback Calculated Property
Cp,gas	1626.17	J/mol×K	1061.75	Joback Calculated Property
Cp,gas	1651.31	J/mol×K	1103.18	Joback Calculated Property
Cp,gas	1675.22	J/mol×K	1144.60	Joback Calculated Property
Cp,gas	1698.10	J/mol×K	1186.02	Joback Calculated Property
Cp,gas	1720.15	J/mol×K	1227.44	Joback Calculated Property
Cp,gas	1741.54	J/mol×K	1268.87	Joback Calculated Property
η	[0.0000083; 0.0003019]	Pa×s	[507.32; 1020.33]
η	0.0003019	Pa×s	507.32	Joback Calculated Property
η	0.0001079	Pa×s	592.82	Joback Calculated Property
η	0.0000499	Pa×s	678.32	Joback Calculated Property
η	0.0000275	Pa×s	763.83	Joback Calculated Property
η	0.0000171	Pa×s	849.33	Joback Calculated Property
η	0.0000115	Pa×s	934.83	Joback Calculated Property
η	0.0000083	Pa×s	1020.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadeca-9,12,15-trienoic acid tetradecyl ester,Z,Z,Z.

Sources

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

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