Chemical Properties of 7-Isopropenyl-1,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (CAS 473-08-5)

InChI

InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3

InChI Key

KUFXJZXMWHNCEH-UHFFFAOYSA-N

Formula

C15H22O

SMILES

C=C(C)C1CCC2(C)CCC(=O)C(C)=C2C1

Molecular Weight¹

218.33

CAS

473-08-5

Other Names

• «alpha»-Cyperone

• 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	0.3770		Relay (1.0) Calculated Property
ΔfG°	110.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.54	kJ/mol	Joback Calculated Property
ΔvapH°	73.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Inp	[1706.00; 1771.00]
Inp	1758.50		NIST
Inp	1706.00		NIST
Inp	1771.00		NIST
Inp	1710.00		NIST
Inp	1755.00		NIST
Inp	1706.00		NIST
Tboil	576.12	K	Relay (1.0) Calculated Property
Tc	791.99	K	Relay (1.0) Calculated Property
Tfus	338.49	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.47; 652.86]	J/mol×K	[646.90; 885.57]
Cp,gas	538.47	J/mol×K	646.90	Joback Calculated Property
Cp,gas	560.03	J/mol×K	686.68	Joback Calculated Property
Cp,gas	580.39	J/mol×K	726.46	Joback Calculated Property
Cp,gas	599.70	J/mol×K	766.24	Joback Calculated Property
Cp,gas	618.11	J/mol×K	806.02	Joback Calculated Property
Cp,gas	635.78	J/mol×K	845.79	Joback Calculated Property
Cp,gas	652.86	J/mol×K	885.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Isopropenyl-1,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.

Sources

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

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