Chemical Properties of (Z,E)-Farnesyl acetate (CAS 40266-29-3)

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/b15-10+,16-12+

InChI Key

ZGIGZINMAOQWLX-NCZFFCEISA-N

Formula

C17H28O2

SMILES

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

Molecular Weight¹

264.40

CAS

40266-29-3

Other Names

• (2Z, 6E)-Farnesyl acetate
• cis-trans-Farnesyl acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5653		Relay (1.0) Calculated Property
ΔfG°	73.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-513.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.25	kJ/mol	Joback Calculated Property
ΔvapH°	86.35	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
Pc	1442.44	kPa	Joback Calculated Property
Inp	[1775.00; 1824.00]
Inp	1804.00		NIST
Inp	1805.00		NIST
Inp	1814.00		NIST
Inp	1792.00		NIST
Inp	1824.00		NIST
Inp	1812.00		NIST
Inp	1822.00		NIST
Inp	1818.00		NIST
Inp	1818.00		NIST
Inp	1788.00		NIST
Inp	1818.00		NIST
Inp	Outlier 1775.00		NIST
Inp	Outlier 1776.00		NIST
Inp	1787.00		NIST
Inp	1822.00		NIST
Inp	1822.00		NIST
Inp	1808.00		NIST
Inp	1808.00		NIST
Inp	1822.00		NIST
Inp	1804.00		NIST
I	[2225.00; 2241.00]
I	2225.00		NIST
I	2241.00		NIST
I	2225.00		NIST
Tboil	566.71	K	Relay (1.0) Calculated Property
Tc	733.95	K	Relay (1.0) Calculated Property
Tfus	240.26	K	Relay (1.0) Calculated Property
Vc	0.864	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.60; 759.89]	J/mol×K	[676.77; 866.41]
Cp,gas	666.60	J/mol×K	676.77	Joback Calculated Property
Cp,gas	684.20	J/mol×K	708.38	Joback Calculated Property
Cp,gas	700.91	J/mol×K	739.98	Joback Calculated Property
Cp,gas	716.78	J/mol×K	771.59	Joback Calculated Property
Cp,gas	731.87	J/mol×K	803.19	Joback Calculated Property
Cp,gas	746.22	J/mol×K	834.80	Joback Calculated Property
Cp,gas	759.89	J/mol×K	866.41	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.