Chemical Properties of 6,8-Nonadien-2-one, 6-methyl-5-(1-methylethylidene)- (CAS 60714-16-1)

InChI

InChI=1S/C13H20O/c1-6-7-11(4)13(10(2)3)9-8-12(5)14/h6-7H,1,8-9H2,2-5H3/b11-7+

InChI Key

KUZCXMAGIONJAL-YRNVUSSQSA-N

Formula

C13H20O

SMILES

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

Molecular Weight¹

192.30

CAS

60714-16-1

• 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	0.4288		Relay (... Calculated Property
ΔfG°	152.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-150.42	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.22	kJ/mol	Joback Calculated Property
ΔvapH°	65.09	kJ/mol	Relay (... Calculated Property
IE	7.89	eV	Relay (... Calculated Property
log10WS	-2.61		Relay (... Calculated Property
logPoct/wat	3.824		Crippen Calculated Property
McVol	182.700	ml/mol	McGowan Calculated Property
Pc	1989.43	kPa	Joback Calculated Property
Inp	[1389.00; 1389.00]
Inp	1389.00		NIST
Inp	1389.00		NIST
I	[1767.00; 1767.00]
I	1767.00		NIST
I	1767.00		NIST
Tboil	522.07	K	Relay (... Calculated Property
Tc	704.76	K	Relay (... Calculated Property
Tfus	309.89	K	Relay (... Calculated Property
Vc	0.616	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.69; 512.71]	J/mol×K	[555.35; 751.01]
Cp,gas	428.69	J/mol×K	555.35	Joback Calculated Property
Cp,gas	444.74	J/mol×K	587.96	Joback Calculated Property
Cp,gas	459.90	J/mol×K	620.57	Joback Calculated Property
Cp,gas	474.23	J/mol×K	653.18	Joback Calculated Property
Cp,gas	487.77	J/mol×K	685.79	Joback Calculated Property
Cp,gas	500.58	J/mol×K	718.40	Joback Calculated Property
Cp,gas	512.71	J/mol×K	751.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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