Chemical Properties of Spiro[4.5]decan-7-one, 1,8-dimethyl-4-(1-methylethyl)- (CAS 39510-26-4)

InChI

InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h10-13H,5-9H2,1-4H3

InChI Key

HGEHVVBKUMPQRX-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1CCC2(CC1=O)C(C)CCC2C(C)C

Molecular Weight¹

222.37

CAS

39510-26-4

Other Names

• 1-Isopropyl-4,8-dimethylspiro[4.5]decan-7-one

• 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°	2.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.39	kJ/mol	Joback Calculated Property
ΔfusH°	14.31	kJ/mol	Joback Calculated Property
ΔvapH°	51.59	kJ/mol	Joback Calculated Property
log10WS	-3.96		Crippen Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	[1681.70; 1681.70]
Inp	1681.70		NIST
Inp	1681.70		NIST
Tboil	631.44	K	Joback Calculated Property
Tc	862.13	K	Joback Calculated Property
Tfus	349.25	K	Joback Calculated Property
Vc	0.754	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[586.44; 717.02]	J/mol×K	[631.44; 862.13]
Cp,gas	586.44	J/mol×K	631.44	Joback Calculated Property
Cp,gas	611.29	J/mol×K	669.89	Joback Calculated Property
Cp,gas	634.74	J/mol×K	708.34	Joback Calculated Property
Cp,gas	656.91	J/mol×K	746.79	Joback Calculated Property
Cp,gas	677.92	J/mol×K	785.24	Joback Calculated Property
Cp,gas	697.92	J/mol×K	823.68	Joback Calculated Property
Cp,gas	717.02	J/mol×K	862.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spiro[4.5]decan-7-one, 1,8-dimethyl-4-(1-methylethyl)-.

Sources

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

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