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

InChI

InChI=1S/C16H24O/c1-15(2)8-3-5-12-7-10-16(11-13(12)15)9-4-6-14(16)17/h3-11H2,1-2H3

InChI Key

GQMLSYHTNXNKQK-UHFFFAOYSA-N

Formula

C16H24O

SMILES

CC1(C)CCCC2=C1CC1(CCCC1=O)CC2

Molecular Weight¹

232.36

• 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°	90.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.01	kJ/mol	Joback Calculated Property
ΔfusH°	7.39	kJ/mol	Joback Calculated Property
ΔvapH°	55.68	kJ/mol	Joback Calculated Property
log10WS	-4.85		Crippen Calculated Property
logPoct/wat	4.416		Crippen Calculated Property
McVol	200.990	ml/mol	McGowan Calculated Property
Pc	2322.54	kPa	Joback Calculated Property
Inp	[1822.40; 1832.30]
Inp	1822.40		NIST
Inp	1832.30		NIST
Inp	1822.40		NIST
I	[2320.00; 2335.70]
I	2320.00		NIST
I	2335.70		NIST
I	2320.00		NIST
Tboil	689.14	K	Joback Calculated Property
Tc	947.32	K	Joback Calculated Property
Tfus	452.36	K	Joback Calculated Property
Vc	0.752	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.33; 733.79]	J/mol×K	[689.14; 947.32]
Cp,gas	599.33	J/mol×K	689.14	Joback Calculated Property
Cp,gas	622.91	J/mol×K	732.17	Joback Calculated Property
Cp,gas	645.52	J/mol×K	775.20	Joback Calculated Property
Cp,gas	667.53	J/mol×K	818.23	Joback Calculated Property
Cp,gas	689.32	J/mol×K	861.26	Joback Calculated Property
Cp,gas	711.29	J/mol×K	904.29	Joback Calculated Property
Cp,gas	733.79	J/mol×K	947.32	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'-cyclopentanone-1'].

Sources

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

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