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

• 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_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
ΔfG°	152.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.73	kJ/mol	Joback Calculated Property
ΔfusH°	26.22	kJ/mol	Joback Calculated Property
ΔvapH°	50.76	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen 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	555.35	K	Joback Calculated Property
Tc	751.01	K	Joback Calculated Property
Tfus	232.40	K	Joback Calculated Property
Vc	0.714	m3/kmol	Joback 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

• 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.