Chemical Properties of 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)- (CAS 3796-70-1)

InChI

InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChI Key

HNZUNIKWNYHEJJ-FMIVXFBMSA-N

Formula

C13H22O

SMILES

CC(=O)CCC=C(C)CCC=C(C)C

Molecular Weight¹

194.31

CAS

3796-70-1

Other Names

• (E)-6,10-Dimethylundeca-5,9-dien-2-one
• (E)-6,10-dimethyl-5,9- undecadien-2-one
• (E)-6,10-dimethyl-5,9-undecadien-2-one
• (E)-Geranylacetone
• 5,9-Undecadien-2-one, 6,10-dimethyl-, (5E)-
• 6,10-dimethyl-(E)-5,9-undecadien-2-one
• 6,10-dimethyl-5,9-undecadien-2-one, (E)
• Acetone, geranyl-
• Geranyl acetone
• Geranylaceton
• Geranylacetone, trans-
• trans-Geranylacetone

• 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_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-295.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.81	kJ/mol	Joback Calculated Property
ΔvapH°	71.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-3.47		Relay (1.0) Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	187.000	ml/mol	McGowan Calculated Property
Inp	[1420.00; 1487.00]
Inp	1430.00		NIST
Inp	1452.00		NIST
Inp	1447.00		NIST
Inp	1468.00		NIST
Inp	1468.00		NIST
Inp	1455.00		NIST
Inp	1442.00		NIST
Inp	1455.00		NIST
Inp	1454.00		NIST
Inp	1435.00		NIST
Inp	1428.00		NIST
Inp	1428.00		NIST
Inp	1431.00		NIST
Inp	1434.00		NIST
Inp	1458.00		NIST
Inp	1460.00		NIST
Inp	1453.00		NIST
Inp	1453.00		NIST
Inp	1452.00		NIST
Inp	1453.00		NIST
Inp	1457.00		NIST
Inp	1453.00		NIST
Inp	1455.00		NIST
Inp	1426.00		NIST
Inp	1426.00		NIST
Inp	1456.00		NIST
Inp	1452.00		NIST
Inp	1455.00		NIST
Inp	1454.60		NIST
Inp	1452.00		NIST
Inp	1427.00		NIST
Inp	1454.00		NIST
Inp	1451.00		NIST
Inp	1428.00		NIST
Inp	1458.00		NIST
Inp	1443.00		NIST
Inp	1452.00		NIST
Inp	1455.00		NIST
Inp	1454.00		NIST
Inp	1451.00		NIST
Inp	1430.00		NIST
Inp	1430.00		NIST
Inp	1456.00		NIST
Inp	1453.00		NIST
Inp	1426.00		NIST
Inp	1453.00		NIST
Inp	1443.00		NIST
Inp	1453.00		NIST
Inp	1457.00		NIST
Inp	1456.00		NIST
Inp	1466.00		NIST
Inp	1453.00		NIST
Inp	1454.00		NIST
Inp	1449.00		NIST
Inp	1432.00		NIST
Inp	1453.00		NIST
Inp	1455.00		NIST
Inp	1454.00		NIST
Inp	1454.00		NIST
Inp	1454.00		NIST
Inp	1454.00		NIST
Inp	1455.00		NIST
Inp	1434.00		NIST
Inp	1464.00		NIST
Inp	1453.00		NIST
Inp	1453.00		NIST
Inp	1452.00		NIST
Inp	1434.00		NIST
Inp	1463.00		NIST
Inp	1450.00		NIST
Inp	1451.00		NIST
Inp	1428.00		NIST
Inp	1449.00		NIST
Inp	1422.00		NIST
Inp	1425.00		NIST
Inp	1428.00		NIST
Inp	1451.00		NIST
Inp	Outlier 1487.00		NIST
Inp	1437.00		NIST
Inp	1427.10		NIST
Inp	1423.00		NIST
Inp	1421.50		NIST
Inp	1452.00		NIST
Inp	1448.00		NIST
Inp	1456.00		NIST
Inp	1456.00		NIST
Inp	1435.00		NIST
Inp	1452.00		NIST
Inp	1458.00		NIST
Inp	1429.00		NIST
Inp	1453.00		NIST
Inp	1455.00		NIST
Inp	1447.00		NIST
Inp	1430.00		NIST
Inp	1429.00		NIST
Inp	1455.00		NIST
Inp	1455.00		NIST
Inp	1455.00		NIST
Inp	1457.00		NIST
Inp	1456.00		NIST
Inp	1431.00		NIST
Inp	1461.00		NIST
Inp	1453.00		NIST
Inp	1454.00		NIST
Inp	1455.00		NIST
Inp	1454.00		NIST
Inp	1452.00		NIST
Inp	Outlier 1485.00		NIST
Inp	1455.00		NIST
Inp	1435.00		NIST
Inp	1446.00		NIST
Inp	1448.00		NIST
Inp	1447.00		NIST
Inp	1447.00		NIST
Inp	1455.00		NIST
Inp	1460.00		NIST
Inp	1430.00		NIST
Inp	1430.00		NIST
Inp	1444.00		NIST
Inp	1461.00		NIST
Inp	1460.00		NIST
Inp	1455.00		NIST
Inp	1451.00		NIST
Inp	1452.00		NIST
Inp	1446.00		NIST
Inp	1424.00		NIST
Inp	1460.00		NIST
Inp	1428.00		NIST
Inp	1445.00		NIST
Inp	1457.00		NIST
Inp	1422.00		NIST
Inp	1439.00		NIST
Inp	1457.50		NIST
Inp	1455.00		NIST
Inp	1455.00		NIST
Inp	1455.00		NIST
Inp	1452.00		NIST
Inp	1446.00		NIST
Inp	1428.00		NIST
Inp	1426.00		NIST
Inp	1461.00		NIST
Inp	1428.00		NIST
Inp	1452.00		NIST
Inp	1446.00		NIST
Inp	1446.00		NIST
Inp	1444.00		NIST
Inp	1445.00		NIST
Inp	1454.00		NIST
Inp	1452.00		NIST
Inp	1444.00		NIST
Inp	1453.00		NIST
Inp	1431.00		NIST
Inp	1428.00		NIST
Inp	1453.00		NIST
Inp	1433.00		NIST
Inp	1452.00		NIST
Inp	1453.00		NIST
Inp	1432.00		NIST
Inp	1430.00		NIST
Inp	1429.00		NIST
Inp	1429.00		NIST
Inp	1429.00		NIST
Inp	1427.00		NIST
Inp	1431.00		NIST
Inp	1449.00		NIST
Inp	1422.00		NIST
Inp	1425.00		NIST
Inp	1452.00		NIST
Inp	1428.00		NIST
Inp	1434.00		NIST
Inp	1432.00		NIST
Inp	1430.00		NIST
Inp	1431.00		NIST
Inp	1431.00		NIST
Inp	1429.00		NIST
Inp	1431.00		NIST
Inp	1429.00		NIST
Inp	1429.00		NIST
Inp	1427.00		NIST
Inp	1452.00		NIST
Inp	1464.00		NIST
Inp	1426.00		NIST
Inp	1451.00		NIST
Inp	1455.00		NIST
Inp	1447.00		NIST
Inp	1460.00		NIST
Inp	1454.00		NIST
Inp	1460.00		NIST
Inp	1453.00		NIST
Inp	1455.00		NIST
Inp	1437.00		NIST
Inp	1420.00		NIST
Inp	1461.00		NIST
Inp	1454.00		NIST
Inp	1459.00		NIST
Inp	1455.00		NIST
Inp	1454.00		NIST
Inp	1453.00		NIST
Inp	1453.00		NIST
Inp	1447.00		NIST
Inp	1453.00		NIST
Inp	1452.00		NIST
Inp	1453.00		NIST
Inp	1455.00		NIST
Inp	1420.00		NIST
Inp	1430.00		NIST
Inp	1421.00		NIST
Inp	1428.00		NIST
Inp	1444.00		NIST
Inp	1458.00		NIST
Inp	1451.00		NIST
Inp	1421.00		NIST
Inp	1453.00		NIST
Inp	1455.00		NIST
Inp	1446.00		NIST
Inp	1450.00		NIST
Inp	1451.00		NIST
Inp	1441.00		NIST
Inp	1423.00		NIST
Inp	1458.00		NIST
Inp	1448.00		NIST
Inp	1460.00		NIST
Inp	1430.00		NIST
Inp	1430.00		NIST
Inp	1426.00		NIST
Inp	1426.00		NIST
Inp	1451.00		NIST
Inp	1421.50		NIST
Inp	1435.00		NIST
Inp	1429.00		NIST
Inp	1456.00		NIST
Inp	1455.00		NIST
Inp	1461.00		NIST
Inp	1446.00		NIST
Inp	1457.00		NIST
Inp	1426.00		NIST
Inp	1444.00		NIST
Inp	1433.00		NIST
Inp	1449.00		NIST
Inp	1434.00		NIST
Inp	1452.00		NIST
Inp	1454.60		NIST
Inp	1428.00		NIST
Inp	1454.00		NIST
Inp	1453.00		NIST
Inp	1464.00		NIST
Inp	1463.00		NIST
Inp	1422.00		NIST
Inp	1430.00		NIST
Ip	[1811.00; 1883.00]
Ip	1856.00		NIST
Ip	1862.00		NIST
Ip	1865.00		NIST
Ip	1859.00		NIST
Ip	1865.00		NIST
Ip	1850.00		NIST
Ip	Outlier 1811.00		NIST
Ip	Outlier 1816.00		NIST
Ip	1867.00		NIST
Ip	1824.00		NIST
Ip	1846.00		NIST
Ip	1857.00		NIST
Ip	1842.00		NIST
Ip	1854.00		NIST
Ip	1877.00		NIST
Ip	1844.00		NIST
Ip	1846.00		NIST
Ip	1853.00		NIST
Ip	1825.00		NIST
Ip	1840.00		NIST
Ip	1833.00		NIST
Ip	1859.00		NIST
Ip	1859.00		NIST
Ip	1828.00		NIST
Ip	1825.00		NIST
Ip	1852.00		NIST
Ip	1843.00		NIST
Ip	1858.00		NIST
Ip	1859.00		NIST
Ip	1850.00		NIST
Ip	1852.00		NIST
Ip	1876.00		NIST
Ip	1842.00		NIST
Ip	1856.00		NIST
Ip	1868.00		NIST
Ip	1856.00		NIST
Ip	1840.00		NIST
Ip	1848.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1854.00		NIST
Ip	1865.00		NIST
Ip	Outlier 1816.00		NIST
Ip	1848.00		NIST
Ip	1850.00		NIST
Ip	1866.00		NIST
Ip	1855.00		NIST
Ip	1846.00		NIST
Ip	1848.00		NIST
Ip	1868.00		NIST
Ip	Outlier 1815.00		NIST
Ip	1853.00		NIST
Ip	1859.00		NIST
Ip	1858.00		NIST
Ip	1840.00		NIST
Ip	Outlier 1820.00		NIST
Ip	1863.00		NIST
Ip	1849.00		NIST
Ip	1851.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1862.00		NIST
Ip	1877.00		NIST
Ip	1853.00		NIST
Ip	1870.00		NIST
Ip	1868.00		NIST
Ip	1883.00		NIST
Ip	1856.00		NIST
Ip	Outlier 1820.00		NIST
Ip	Outlier 1820.00		NIST
Ip	1833.00		NIST
Ip	Outlier 1820.00		NIST
Ip	1850.00		NIST
Ip	1868.00		NIST
Ip	1849.00		NIST
Ip	1856.00		NIST
Ip	1881.00		NIST
Ip	1858.00		NIST
Ip	1854.00		NIST
Ip	1836.00		NIST
Ip	1840.00		NIST
Ip	1853.00		NIST
Ip	1867.00		NIST
Ip	1868.00		NIST
Ip	1845.00		NIST
Ip	1845.00		NIST
Ip	1868.00		NIST
Ip	1866.00		NIST
Ip	1857.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1825.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1867.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1856.00		NIST
Ip	1863.00		NIST
Ip	1849.00		NIST
Ip	1858.00		NIST
Ip	1859.00		NIST
Ip	1832.00		NIST
Ip	1842.00		NIST
Ip	1848.00		NIST
Ip	Outlier 1816.00		NIST
Ip	1846.00		NIST
Ip	1859.00		NIST
Ip	1849.00		NIST
Ip	1868.00		NIST
Ip	1870.00		NIST
Ip	Outlier 1820.00		NIST
Ip	1867.00		NIST
Ip	1854.00		NIST
Ip	1825.00		NIST
Ip	1828.00		NIST
Tboil	530.12	K	Relay (1.0) Calculated Property
Tfus	242.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.48; 617.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.93160e+01
Coefficient B			1.25068e+00
Coefficient C			-8.36900e-04
Coefficient D			2.32860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.48	J/mol×K	273.00	Calculated Property
Cp,gas	318.71	J/mol×K	353.78	Calculated Property
Cp,gas	375.24	J/mol×K	434.56	Calculated Property
Cp,gas	424.82	J/mol×K	515.33	Calculated Property
Cp,gas	468.16	J/mol×K	596.11	Calculated Property
Cp,gas	506.02	J/mol×K	676.89	Calculated Property
Cp,gas	539.13	J/mol×K	757.67	Calculated Property
Cp,gas	568.23	J/mol×K	838.44	Calculated Property
Cp,gas	594.05	J/mol×K	919.22	Calculated Property
Cp,gas	617.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-.

Mixtures

• Acetylene + 5,9-Undecadien-2-one, 6,10-dimethyl-, (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
• Solubility of Acetylene in Alcohols and Ketones
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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