Chemical Properties of (Z)-2-Methyl-6-(4-methyl-5-(3-methylbut-2-enoyl)cyclohex-3-en-1-yl)hepta-2,5-dien-4-one

InChI

InChI=1S/C20H28O2/c1-13(2)9-18(21)11-16(6)17-8-7-15(5)19(12-17)20(22)10-14(3)4/h7,9-11,17,19H,8,12H2,1-6H3/b16-11-

InChI Key

LASOUTDTKMMTFN-WJDWOHSUSA-N

Formula

C20H28O2

SMILES

CC(C)=CC(=O)C=C(C)C1CC=C(C)C(C(=O)C=C(C)C)C1

Molecular Weight¹

300.44

• 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	0.5320		Relay (1.0) Calculated Property
ΔfG°	111.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-335.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.17	kJ/mol	Joback Calculated Property
ΔvapH°	88.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.976		Crippen Calculated Property
McVol	267.740	ml/mol	McGowan Calculated Property
Pc	1426.15	kPa	Joback Calculated Property
Inp	[2117.50; 2117.50]
Inp	2117.50		NIST
Inp	2117.50		NIST
Tboil	596.44	K	Relay (1.0) Calculated Property
Tc	823.46	K	Relay (1.0) Calculated Property
Tfus	338.88	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[802.73; 899.68]	J/mol×K	[795.88; 1015.19]
Cp,gas	802.73	J/mol×K	795.88	Joback Calculated Property
Cp,gas	821.51	J/mol×K	832.43	Joback Calculated Property
Cp,gas	839.12	J/mol×K	868.98	Joback Calculated Property
Cp,gas	855.65	J/mol×K	905.53	Joback Calculated Property
Cp,gas	871.19	J/mol×K	942.09	Joback Calculated Property
Cp,gas	885.84	J/mol×K	978.64	Joback Calculated Property
Cp,gas	899.68	J/mol×K	1015.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-2-Methyl-6-(4-methyl-5-(3-methylbut-2-enoyl)cyclohex-3-en-1-yl)hepta-2,5-dien-4-one.

Sources

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

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