Chemical Properties of (Z)-(Z)-icos-11-en-1-yl icos-11-enoate (CAS 173443-70-4)

InChI

InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3/b19-17-,20-18-

InChI Key

JZPSREGMTSRPQU-CLFAGFIQSA-N

Formula

C40H76O2

SMILES

CCCCCCCCC=CCCCCCCCCCCOC(=O)CCCCCCCCCC=CCCCCCCCC

Molecular Weight¹

589.03

CAS

173443-70-4

• 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	1.5223		Relay (1.0) Calculated Property
ΔfG°	135.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1087.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	104.13	kJ/mol	Joback Calculated Property
ΔvapH°	178.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-11.75		Relay (1.0) Calculated Property
logPoct/wat	14.165		Crippen Calculated Property
McVol	573.300	ml/mol	McGowan Calculated Property
Pc	408.29	kPa	Joback Calculated Property
Inp	[4417.60; 4417.60]
Inp	4417.60		NIST
Inp	4417.60		NIST
Tboil	729.64	K	Relay (1.0) Calculated Property
Tc	909.71	K	Relay (1.0) Calculated Property
Tfus	302.27	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	[2162.75; 2380.93]	J/mol×K	[1181.34; 1586.99]
Cp,gas	2162.75	J/mol×K	1181.34	Joback Calculated Property
Cp,gas	2203.83	J/mol×K	1248.95	Joback Calculated Property
Cp,gas	2241.78	J/mol×K	1316.56	Joback Calculated Property
Cp,gas	2277.54	J/mol×K	1384.16	Joback Calculated Property
Cp,gas	2312.03	J/mol×K	1451.77	Joback Calculated Property
Cp,gas	2346.18	J/mol×K	1519.38	Joback Calculated Property
Cp,gas	2380.93	J/mol×K	1586.99	Joback Calculated Property
η	[0.0000022; 0.0001178]	Pa×s	[572.73; 1181.34]
η	0.0001178	Pa×s	572.73	Joback Calculated Property
η	0.0000369	Pa×s	674.16	Joback Calculated Property
η	0.0000157	Pa×s	775.60	Joback Calculated Property
η	0.0000081	Pa×s	877.03	Joback Calculated Property
η	0.0000048	Pa×s	978.47	Joback Calculated Property
η	0.0000031	Pa×s	1079.90	Joback Calculated Property
η	0.0000022	Pa×s	1181.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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