Chemical Properties of 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-

InChI

InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11?

InChI Key

PFSTYGCNVAVZBK-JQGMZEBDSA-N

Formula

C15H22O

SMILES

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

Molecular Weight¹

218.34

Other Names

• «alpha»-Sinensal
• (E,E,E)-2,6,10-trimethyldodeca-2,6,9,11-tetraen-1-al

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.29	kJ/mol	Joback Calculated Property
ΔvapH°	78.64	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.381		Crippen Calculated Property
McVol	206.580	ml/mol	McGowan Calculated Property
Inp	[1720.00; 1774.00]
Inp	1765.00		NIST
Inp	1765.00		NIST
Inp	1732.00		NIST
Inp	1745.00		NIST
Inp	1752.00		NIST
Inp	1758.00		NIST
Inp	1731.00		NIST
Inp	1757.00		NIST
Inp	1750.00		NIST
Inp	1752.00		NIST
Inp	1752.00		NIST
Inp	1726.00		NIST
Inp	1753.00		NIST
Inp	1741.00		NIST
Inp	1759.60		NIST
Inp	1764.00		NIST
Inp	1752.00		NIST
Inp	1748.00		NIST
Inp	1754.00		NIST
Inp	1746.00		NIST
Inp	1726.00		NIST
Inp	1752.00		NIST
Inp	1726.00		NIST
Inp	1748.00		NIST
Inp	1725.00		NIST
Inp	1720.00		NIST
Inp	1720.00		NIST
Inp	1721.00		NIST
Inp	1774.00		NIST
Inp	1774.00		NIST
Inp	1749.00		NIST
Inp	1752.00		NIST
Inp	1742.00		NIST
Inp	1762.00		NIST
Inp	1742.00		NIST
Inp	1759.60		NIST
Inp	1748.00		NIST
Inp	1726.00		NIST
Inp	1721.00		NIST
I	[2261.00; 2350.00]
I	2323.00		NIST
I	2323.00		NIST
I	2268.00		NIST
I	2304.00		NIST
I	2261.00		NIST
I	2350.00		NIST
I	2268.00		NIST
I	2323.00		NIST
I	2287.00		NIST
I	2323.00		NIST
I	2304.00		NIST
I	2304.00		NIST
I	2271.00		NIST
I	2340.00		NIST
I	2323.00		NIST
I	2268.00		NIST
I	2313.00		NIST
I	2268.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[509.43; 595.02]	J/mol×K	[600.26; 794.52]
Cp,gas	509.43	J/mol×K	600.26	Joback Calculated Property
Cp,gas	525.78	J/mol×K	632.64	Joback Calculated Property
Cp,gas	541.20	J/mol×K	665.01	Joback Calculated Property
Cp,gas	555.77	J/mol×K	697.39	Joback Calculated Property
Cp,gas	569.55	J/mol×K	729.77	Joback Calculated Property
Cp,gas	582.61	J/mol×K	762.14	Joback Calculated Property
Cp,gas	595.02	J/mol×K	794.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-.

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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