Chemical Properties of 9-(4-Methylpentene-3-yl) spiro[5.5]undecene-8-one-1

InChI

InChI=1S/C17H26O/c1-14(2)6-5-7-15-9-12-17(13-10-15)11-4-3-8-16(17)18/h6,9H,3-5,7-8,10-13H2,1-2H3

InChI Key

GQKQQSMFSHMOKY-UHFFFAOYSA-N

Formula

C17H26O

SMILES

CC(C)=CCCC1=CCC2(CCCCC2=O)CC1

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	0.4102		Relay (... Calculated Property
ΔfG°	124.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-236.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.42	kJ/mol	Joback Calculated Property
ΔvapH°	80.36	kJ/mol	Relay (... Calculated Property
IE	8.12	eV	Relay (... Calculated Property
log10WS	-4.74		Relay (... Calculated Property
logPoct/wat	4.973		Crippen Calculated Property
McVol	221.640	ml/mol	McGowan Calculated Property
Pc	1933.83	kPa	Joback Calculated Property
Inp	[1953.20; 1967.70]
Inp	1953.20		NIST
Inp	1967.70		NIST
Inp	1953.20		NIST
I	[2490.10; 2506.20]
I	2490.10		NIST
I	2490.10		NIST
I	2506.20		NIST
Tboil	606.03	K	Relay (... Calculated Property
Tc	813.71	K	Relay (... Calculated Property
Tfus	313.13	K	Relay (... Calculated Property
Vc	0.740	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.49; 773.98]	J/mol×K	[704.10; 944.31]
Cp,gas	651.49	J/mol×K	704.10	Joback Calculated Property
Cp,gas	674.36	J/mol×K	744.13	Joback Calculated Property
Cp,gas	696.00	J/mol×K	784.17	Joback Calculated Property
Cp,gas	716.60	J/mol×K	824.20	Joback Calculated Property
Cp,gas	736.34	J/mol×K	864.24	Joback Calculated Property
Cp,gas	755.40	J/mol×K	904.27	Joback Calculated Property
Cp,gas	773.98	J/mol×K	944.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9-(4-Methylpentene-3-yl) spiro[5.5]undecene-8-one-1.

Sources

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

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