Chemical Properties of 9,13-Pentadecadien-2-one, 6,10,14-trimethyl-, (E)- (CAS 31138-32-6)

InChI

InChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,17H,6-8,10,12-14H2,1-5H3/b16-11+

InChI Key

INPFUDIQDUQFDI-LFIBNONCSA-N

Formula

C18H32O

SMILES

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

Molecular Weight¹

264.45

CAS

31138-32-6

Other Names

• Dihydrofarnesyl acetone

• 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.
• 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	0.6251		Relay (1.0) Calculated Property
ΔfG°	112.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-436.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.24	kJ/mol	Joback Calculated Property
ΔvapH°	83.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.855		Crippen Calculated Property
McVol	257.450	ml/mol	McGowan Calculated Property
Pc	1311.80	kPa	Joback Calculated Property
Inp	[1852.00; 1852.00]
Inp	1852.00		NIST
Inp	1852.00		NIST
Tboil	582.75	K	Relay (1.0) Calculated Property
Tc	755.18	K	Relay (1.0) Calculated Property
Tfus	261.53	K	Relay (1.0) Calculated Property
Vc	0.903	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.93; 814.96]	J/mol×K	[672.75; 856.14]
Cp,gas	714.93	J/mol×K	672.75	Joback Calculated Property
Cp,gas	733.75	J/mol×K	703.31	Joback Calculated Property
Cp,gas	751.65	J/mol×K	733.88	Joback Calculated Property
Cp,gas	768.67	J/mol×K	764.44	Joback Calculated Property
Cp,gas	784.86	J/mol×K	795.01	Joback Calculated Property
Cp,gas	800.27	J/mol×K	825.57	Joback Calculated Property
Cp,gas	814.96	J/mol×K	856.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,13-Pentadecadien-2-one, 6,10,14-trimethyl-, (E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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