Chemical Properties of (E,E)-Farnesyl acetone

InChI

InChI=1S/C18H28O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h8-9,11,13-14H,6-7,10,12H2,1-5H3/b14-8+,16-11+,17-13+

InChI Key

HGFAGNRYCRACAH-WWESEOGYSA-N

Formula

C18H28O

SMILES

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

Molecular Weight¹

260.41

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-259.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.85	kJ/mol	Joback Calculated Property
ΔvapH°	88.58	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.08		Relay (1.0) Calculated Property
logPoct/wat	5.551		Crippen Calculated Property
McVol	248.850	ml/mol	McGowan Calculated Property
Inp	[1884.00; 1921.00]
Inp	1916.00		NIST
Inp	1915.00		NIST
Inp	1911.00		NIST
Inp	1911.00		NIST
Inp	1921.00		NIST
Inp	1918.00		NIST
Inp	1918.00		NIST
Inp	1920.00		NIST
Inp	1919.00		NIST
Inp	Outlier 1884.00		NIST
Inp	1921.00		NIST
Inp	1916.00		NIST
Inp	1911.00		NIST
Inp	Outlier 1884.00		NIST
Ip	[2377.00; 2382.00]
Ip	2382.00		NIST
Ip	2377.00		NIST
Ip	2382.00		NIST
Tboil	580.41	K	Relay (1.0) Calculated Property
Tfus	293.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[332.70; 813.84]	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			-6.19160e+01
Coefficient B			1.76560e+00
Coefficient C			-1.27880e-03
Coefficient D			3.88960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.70	J/mol×K	273.00	Calculated Property
Cp,gas	419.88	J/mol×K	353.78	Calculated Property
Cp,gas	495.77	J/mol×K	434.56	Calculated Property
Cp,gas	561.58	J/mol×K	515.33	Calculated Property
Cp,gas	618.55	J/mol×K	596.11	Calculated Property
Cp,gas	667.91	J/mol×K	676.89	Calculated Property
Cp,gas	710.89	J/mol×K	757.67	Calculated Property
Cp,gas	748.72	J/mol×K	838.44	Calculated Property
Cp,gas	782.63	J/mol×K	919.22	Calculated Property
Cp,gas	813.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E,E)-Farnesyl acetone.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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