Chemical Properties of (E)-5-tangerinol [6,10-dimethyl-(E)-5,9-undecadienyl 2-acetate)

InChI

InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+

InChI Key

BXGLLMNDXKACMT-JLHYYAGUSA-N

Formula

C15H26O2

SMILES

CC(=O)OC(C)CC/C=C(\C)CCC=C(C)C

Molecular Weight¹

238.37

Other Names

• (E)-6,10-dimethylundeca-5,9-dien-2-yl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-531.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.65	kJ/mol	Joback Calculated Property
ΔvapH°	77.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	4.411		Crippen Calculated Property
McVol	221.050	ml/mol	McGowan Calculated Property
I	[1903.00; 1903.00]
I	1903.00		NIST
I	1903.00		NIST
Tboil	528.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.04; 671.98]	J/mol×K	[626.53; 813.52]
Cp,gas	580.04	J/mol×K	626.53	Joback Calculated Property
Cp,gas	597.38	J/mol×K	657.69	Joback Calculated Property
Cp,gas	613.87	J/mol×K	688.86	Joback Calculated Property
Cp,gas	629.53	J/mol×K	720.02	Joback Calculated Property
Cp,gas	644.42	J/mol×K	751.19	Joback Calculated Property
Cp,gas	658.56	J/mol×K	782.35	Joback Calculated Property
Cp,gas	671.98	J/mol×K	813.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-5-tangerinol [6,10-dimethyl-(E)-5,9-undecadienyl 2-acetate).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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