Chemical Properties of 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (E)- (CAS 54868-48-3)

InChI

InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+

InChI Key

PQDRXUSSKFWCFA-SOFGYWHQSA-N

Formula

C13H22O

SMILES

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

Molecular Weight¹

194.31

CAS

54868-48-3

Other Names

• (.+/-.)-Solanone
• (6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one
• (E)-5-Isopropyl-8-methylnona-6,8-dien-2-one
• Solanone
• (E)-Solanone

• 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).
• 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 : 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
ΔfG°	84.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.93	kJ/mol	Joback Calculated Property
ΔfusH°	21.59	kJ/mol	Joback Calculated Property
ΔvapH°	49.87	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	187.000	ml/mol	McGowan Calculated Property
Pc	1910.24	kPa	Joback Calculated Property
I	[1756.00; 1756.00]
I	1756.00		NIST
I	1756.00		NIST
Tboil	550.55	K	Joback Calculated Property
Tc	739.38	K	Joback Calculated Property
Tfus	235.40	K	Joback Calculated Property
Vc	0.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[448.23; 536.55]	J/mol×K	[550.55; 739.38]
Cp,gas	448.23	J/mol×K	550.55	Joback Calculated Property
Cp,gas	464.96	J/mol×K	582.02	Joback Calculated Property
Cp,gas	480.83	J/mol×K	613.49	Joback Calculated Property
Cp,gas	495.89	J/mol×K	644.97	Joback Calculated Property
Cp,gas	510.17	J/mol×K	676.44	Joback Calculated Property
Cp,gas	523.72	J/mol×K	707.91	Joback Calculated Property
Cp,gas	536.55	J/mol×K	739.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (E)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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