Chemical Properties of (Z)-(Z)-Tetracos-15-en-1-yl icos-11-enoate (CAS 872411-99-9)

InChI

InChI=1S/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3/b19-17-,20-18-

InChI Key

XMZFOULJKLPCFF-CLFAGFIQSA-N

Formula

C44H84O2

SMILES

CCCCCCCCC=CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCC=CCCCCCCCC

Molecular Weight¹

645.14

CAS

872411-99-9

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.6625		Relay (1.0) Calculated Property
ΔfG°	246.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1171.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	112.91	kJ/mol	Joback Calculated Property
ΔvapH°	196.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-12.85		Relay (1.0) Calculated Property
logPoct/wat	15.725		Crippen Calculated Property
McVol	629.660	ml/mol	McGowan Calculated Property
Pc	357.08	kPa	Joback Calculated Property
Inp	[5763.90; 5763.90]
Inp	5763.90		NIST
Inp	5763.90		NIST
Tboil	754.43	K	Relay (1.0) Calculated Property
Tc	930.88	K	Relay (1.0) Calculated Property
Tfus	308.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[2458.73; 2822.21]	J/mol×K	[1290.73; 1861.65]
Cp,gas	2458.73	J/mol×K	1290.73	Joback Calculated Property
Cp,gas	2516.67	J/mol×K	1385.88	Joback Calculated Property
Cp,gas	2571.93	J/mol×K	1481.04	Joback Calculated Property
Cp,gas	2627.30	J/mol×K	1576.19	Joback Calculated Property
Cp,gas	2685.60	J/mol×K	1671.35	Joback Calculated Property
Cp,gas	2749.63	J/mol×K	1766.50	Joback Calculated Property
Cp,gas	2822.21	J/mol×K	1861.65	Joback Calculated Property
η	[0.0000013; 0.0000519]	Pa×s	[647.64; 1290.73]
η	0.0000519	Pa×s	647.64	Joback Calculated Property
η	0.0000182	Pa×s	754.82	Joback Calculated Property
η	0.0000083	Pa×s	862.00	Joback Calculated Property
η	0.0000045	Pa×s	969.18	Joback Calculated Property
η	0.0000028	Pa×s	1076.37	Joback Calculated Property
η	0.0000018	Pa×s	1183.55	Joback Calculated Property
η	0.0000013	Pa×s	1290.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-(Z)-Tetracos-15-en-1-yl icos-11-enoate.

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.
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