Chemical Properties of Decyl palmitoleate (CAS 1286723-98-5)

InChI

InChI=1S/C26H50O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26(27)28-25-23-21-19-12-10-8-6-4-2/h13-14H,3-12,15-25H2,1-2H3/b14-13-

InChI Key

HSOMCHUKNVQFKY-YPKPFQOOSA-N

Formula

C26H50O2

SMILES

CCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCC

Molecular Weight¹

394.67

CAS

1286723-98-5

• 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	1.1050		Relay (1.0) Calculated Property
ΔfG°	14.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-833.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.09	kJ/mol	Joback Calculated Property
ΔvapH°	120.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-8.22		Relay (1.0) Calculated Property
logPoct/wat	8.928		Crippen Calculated Property
McVol	380.340	ml/mol	McGowan Calculated Property
Pc	764.79	kPa	Joback Calculated Property
Inp	[2752.00; 2752.00]
Inp	2752.00		NIST
Inp	2752.00		NIST
Tboil	637.66	K	Relay (1.0) Calculated Property
Tc	821.12	K	Relay (1.0) Calculated Property
Tfus	287.37	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	[1259.27; 1375.17]	J/mol×K	[874.73; 1071.62]
Cp,gas	1259.27	J/mol×K	874.73	Joback Calculated Property
Cp,gas	1281.50	J/mol×K	907.55	Joback Calculated Property
Cp,gas	1302.48	J/mol×K	940.36	Joback Calculated Property
Cp,gas	1322.28	J/mol×K	973.18	Joback Calculated Property
Cp,gas	1340.96	J/mol×K	1005.99	Joback Calculated Property
Cp,gas	1358.57	J/mol×K	1038.81	Joback Calculated Property
Cp,gas	1375.17	J/mol×K	1071.62	Joback Calculated Property
η	[0.0000272; 0.0007748]	Pa×s	[449.86; 874.73]
η	0.0007748	Pa×s	449.86	Joback Calculated Property
η	0.0003032	Pa×s	520.67	Joback Calculated Property
η	0.0001486	Pa×s	591.48	Joback Calculated Property
η	0.0000848	Pa×s	662.30	Joback Calculated Property
η	0.0000539	Pa×s	733.11	Joback Calculated Property
η	0.0000371	Pa×s	803.92	Joback Calculated Property
η	0.0000272	Pa×s	874.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Decyl palmitoleate.

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.