Chemical Properties of Spiro[8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,2'-cyclohexanone-1]

InChI

InChI=1S/C17H26O/c1-16(2)9-5-6-13-8-11-17(12-14(13)16)10-4-3-7-15(17)18/h3-12H2,1-2H3

InChI Key

POCWDQYCFAMVQT-UHFFFAOYSA-N

Formula

C17H26O

SMILES

CC1(C)CCCC2=C1CC1(CCCCC1=O)CC2

Molecular Weight¹

246.39

• 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	0.3862		Relay (... Calculated Property
ΔfG°	86.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.58	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.88	kJ/mol	Joback Calculated Property
ΔvapH°	77.52	kJ/mol	Relay (... Calculated Property
IE	8.07	eV	Relay (... Calculated Property
log10WS	-4.29		Relay (... Calculated Property
logPoct/wat	4.807		Crippen Calculated Property
McVol	215.080	ml/mol	McGowan Calculated Property
Pc	2171.40	kPa	Joback Calculated Property
Inp	[1929.40; 1943.70]
Inp	1929.40		NIST
Inp	1943.70		NIST
I	[2427.60; 2447.60]
I	2427.60		NIST
I	2447.60		NIST
I	2427.60		NIST
Tboil	601.19	K	Relay (... Calculated Property
Tc	845.65	K	Relay (... Calculated Property
Tfus	406.74	K	Relay (... Calculated Property
Vc	0.745	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[658.76; 802.67]	J/mol×K	[716.29; 976.75]
Cp,gas	658.76	J/mol×K	716.29	Joback Calculated Property
Cp,gas	683.80	J/mol×K	759.70	Joback Calculated Property
Cp,gas	707.91	J/mol×K	803.11	Joback Calculated Property
Cp,gas	731.47	J/mol×K	846.52	Joback Calculated Property
Cp,gas	754.86	J/mol×K	889.93	Joback Calculated Property
Cp,gas	778.47	J/mol×K	933.34	Joback Calculated Property
Cp,gas	802.67	J/mol×K	976.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spiro[8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,2'-cyclohexanone-1].

Sources

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

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