Chemical Properties of (Z)-Decyl icos-9-enoate

InChI

InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30(31)32-29-27-25-23-12-10-8-6-4-2/h17-18H,3-16,19-29H2,1-2H3/b18-17+

InChI Key

CVSNREFLSKDQLK-ZCXUNETKSA-N

Formula

C30H58O2

SMILES

CCCCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCC

Molecular Weight¹

450.79

• 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	1.2448		Relay (1.0) Calculated Property
ΔfG°	-28.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-899.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.03	kJ/mol	Joback Calculated Property
ΔvapH°	140.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-9.26		Relay (1.0) Calculated Property
logPoct/wat	10.488		Crippen Calculated Property
McVol	436.700	ml/mol	McGowan Calculated Property
Pc	612.38	kPa	Joback Calculated Property
Inp	[3146.10; 3146.10]
Inp	3146.10		NIST
Inp	3146.10		NIST
Tboil	656.17	K	Relay (1.0) Calculated Property
Tc	852.34	K	Relay (1.0) Calculated Property
Tfus	282.21	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	[1510.32; 1638.25]	J/mol×K	[948.38; 1173.27]
Cp,gas	1510.32	J/mol×K	948.38	Joback Calculated Property
Cp,gas	1535.52	J/mol×K	985.86	Joback Calculated Property
Cp,gas	1559.03	J/mol×K	1023.34	Joback Calculated Property
Cp,gas	1580.95	J/mol×K	1060.82	Joback Calculated Property
Cp,gas	1601.39	J/mol×K	1098.30	Joback Calculated Property
Cp,gas	1620.45	J/mol×K	1135.79	Joback Calculated Property
Cp,gas	1638.25	J/mol×K	1173.27	Joback Calculated Property
η	[0.0000128; 0.0005954]	Pa×s	[465.11; 948.38]
η	0.0005954	Pa×s	465.11	Joback Calculated Property
η	0.0001960	Pa×s	545.65	Joback Calculated Property
η	0.0000859	Pa×s	626.20	Joback Calculated Property
η	0.0000454	Pa×s	706.74	Joback Calculated Property
η	0.0000273	Pa×s	787.29	Joback Calculated Property
η	0.0000181	Pa×s	867.83	Joback Calculated Property
η	0.0000128	Pa×s	948.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Decyl icos-9-enoate.

Sources

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

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