Chemical Properties of 4-(1,5-Dimethylhex-4-enyl)cyclohex-2-enone (CAS 1723-80-4)

InChI

InChI=1S/C14H22O/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7,9,12-13H,4,6,8,10H2,1-3H3

InChI Key

CIIUTVUZULBJKL-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC(C)=CCCC(C)C1C=CC(=O)CC1

Molecular Weight¹

206.32

CAS

1723-80-4

Other Names

• 4-(6-Methylhept-5-en-2-yl)cyclohex-2-enone

• 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.
• 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°	68.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-255.74	kJ/mol	Joback Calculated Property
ΔfusH°	19.95	kJ/mol	Joback Calculated Property
ΔvapH°	51.38	kJ/mol	Joback Calculated Property
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	3.904		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2027.23	kPa	Joback Calculated Property
Inp	[1697.80; 1697.80]
Inp	1697.80		NIST
Inp	1697.80		NIST
Tboil	609.85	K	Joback Calculated Property
Tc	828.69	K	Joback Calculated Property
Tfus	289.86	K	Joback Calculated Property
Vc	0.721	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.61; 607.63]	J/mol×K	[609.85; 828.69]
Cp,gas	501.61	J/mol×K	609.85	Joback Calculated Property
Cp,gas	522.16	J/mol×K	646.32	Joback Calculated Property
Cp,gas	541.51	J/mol×K	682.80	Joback Calculated Property
Cp,gas	559.71	J/mol×K	719.27	Joback Calculated Property
Cp,gas	576.77	J/mol×K	755.74	Joback Calculated Property
Cp,gas	592.74	J/mol×K	792.21	Joback Calculated Property
Cp,gas	607.63	J/mol×K	828.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(1,5-Dimethylhex-4-enyl)cyclohex-2-enone.

Sources

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

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