Chemical Properties of lsolongifolen-9-one

InChI

InChI=1S/C15H22O/c1-13(2)7-5-6-12-14(3,4)10-8-15(12,13)9-11(10)16/h6,10H,5,7-9H2,1-4H3/t10-,15-/m0/s1

InChI Key

ZNAKKZNXJRNCAC-BONVTDFDSA-N

Formula

C15H22O

SMILES

CC1(C)C2=CCCC(C)(C)C23CC(=O)C1C3

Molecular Weight¹

218.33

• 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.
• 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	0.3644		Relay (1.0) Calculated Property
ΔfG°	107.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.33	kJ/mol	Joback Calculated Property
ΔvapH°	70.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-3.65		Relay (1.0) Calculated Property
logPoct/wat	3.738		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2356.49	kPa	Joback Calculated Property
Inp	[1627.90; 1663.90]
Inp	1663.90		NIST
Inp	1627.90		NIST
Inp	1645.00		NIST
Inp	1663.90		NIST
Tboil	539.60	K	Relay (1.0) Calculated Property
Tc	808.00	K	Relay (1.0) Calculated Property
Tfus	453.16	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.19; 661.47]	J/mol×K	[639.37; 887.45]
Cp,gas	538.19	J/mol×K	639.37	Joback Calculated Property
Cp,gas	559.31	J/mol×K	680.72	Joback Calculated Property
Cp,gas	579.56	J/mol×K	722.06	Joback Calculated Property
Cp,gas	599.42	J/mol×K	763.41	Joback Calculated Property
Cp,gas	619.37	J/mol×K	804.76	Joback Calculated Property
Cp,gas	639.89	J/mol×K	846.10	Joback Calculated Property
Cp,gas	661.47	J/mol×K	887.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to lsolongifolen-9-one.

Sources

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

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