Chemical Properties of Aromadendr-1(10)-en-9-one (squamulosone)

InChI

InChI=1S/C15H22O/c1-8-5-6-10-9(2)12(16)7-11-14(13(8)10)15(11,3)4/h8,11,13-14H,5-7H2,1-4H3/t8-,11-,13?,14-/m1/s1

InChI Key

FUIPJCVSKAWFTI-HRFWHUSOSA-N

Formula

C15H22O

SMILES

CC1=C2CCC(C)C2C2C(CC1=O)C2(C)C

Molecular Weight¹

218.33

Other Names

• aromadendr-1(10)-en-9-one

• 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	0.3986		Relay (... Calculated Property
ΔfG°	100.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.50	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.61	kJ/mol	Joback Calculated Property
ΔvapH°	74.13	kJ/mol	Relay (... Calculated Property
IE	8.57	eV	Relay (... Calculated Property
log10WS	-4.09		Relay (... Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2069.88	kPa	Joback Calculated Property
Inp	[1735.00; 1764.00]
Inp	1764.00		NIST
Inp	1735.00		NIST
Inp	1764.00		NIST
I	2391.00		NIST
Tboil	549.68	K	Relay (... Calculated Property
Tc	814.50	K	Relay (... Calculated Property
Tfus	371.40	K	Relay (... Calculated Property
Vc	0.651	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.90; 661.06]	J/mol×K	[639.20; 869.72]
Cp,gas	545.90	J/mol×K	639.20	Joback Calculated Property
Cp,gas	567.48	J/mol×K	677.62	Joback Calculated Property
Cp,gas	587.88	J/mol×K	716.04	Joback Calculated Property
Cp,gas	607.27	J/mol×K	754.46	Joback Calculated Property
Cp,gas	625.82	J/mol×K	792.88	Joback Calculated Property
Cp,gas	643.70	J/mol×K	831.30	Joback Calculated Property
Cp,gas	661.06	J/mol×K	869.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Aromadendr-1(10)-en-9-one (squamulosone).

Sources

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

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