Chemical Properties of Farnesyl acetate (CAS 29548-30-9)

InChI

InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3

InChI Key

ZGIGZINMAOQWLX-UHFFFAOYSA-N

Formula

C17H28O2

SMILES

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

Molecular Weight¹

264.40

CAS

29548-30-9

Other Names

• Farnesol, acetate
• 3,7,11-trimethyldodeca-2,6,10-trienyl 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_np : Non-polar retention indices.
• 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	-513.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.83	kJ/mol	Joback Calculated Property
ΔvapH°	88.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	4.969		Crippen Calculated Property
McVol	244.930	ml/mol	McGowan Calculated Property
Inp	[1787.00; 1846.00]
Inp	1794.50		NIST
Inp	1817.60		NIST
Inp	1787.00		NIST
Inp	1790.00		NIST
Inp	1818.00		NIST
Inp	1804.00		NIST
Inp	1817.00		NIST
Inp	1834.00		NIST
Inp	1835.30		NIST
Inp	1820.00		NIST
Inp	1846.00		NIST
Inp	1831.00		NIST
Inp	1815.00		NIST
Inp	1834.00		NIST
Inp	1822.00		NIST
Inp	1820.00		NIST
Inp	1790.00		NIST
I	[2222.00; 2271.00]
I	Outlier 2225.00		NIST
I	2250.00		NIST
I	2262.00		NIST
I	2245.00		NIST
I	2269.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	Outlier 2222.00		NIST
I	2244.00		NIST
Tboil	566.71	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	[659.46; 753.58]	J/mol×K	[658.90; 846.32]
Cp,gas	659.46	J/mol×K	658.90	Joback Calculated Property
Cp,gas	677.33	J/mol×K	690.14	Joback Calculated Property
Cp,gas	694.25	J/mol×K	721.37	Joback Calculated Property
Cp,gas	710.29	J/mol×K	752.61	Joback Calculated Property
Cp,gas	725.49	J/mol×K	783.85	Joback Calculated Property
Cp,gas	739.90	J/mol×K	815.08	Joback Calculated Property
Cp,gas	753.58	J/mol×K	846.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Farnesyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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