Chemical Properties of 12-Nor-caryophyll-5-en-2-one

InChI

InChI=1S/C14H22O/c1-10-7-5-4-6-8-12(15)13-11(10)9-14(13,2)3/h4-5,10-11,13H,6-9H2,1-3H3/b5-4+/t10?,11-,13+/m1/s1

InChI Key

YRMJLURKGIYRBQ-SNYNSJGUSA-N

Formula

C14H22O

SMILES

CC1CC=CCCC(=O)C2C1CC2(C)C

Molecular Weight¹

206.32

• 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	0.3489		Relay (1.0) Calculated Property
ΔfG°	14.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-282.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.36	kJ/mol	Joback Calculated Property
ΔvapH°	68.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	183.670	ml/mol	McGowan Calculated Property
Pc	2210.37	kPa	Joback Calculated Property
Inp	[1472.00; 1472.00]
Inp	1472.00		NIST
Inp	1472.00		NIST
Tboil	549.99	K	Relay (1.0) Calculated Property
Tc	772.92	K	Relay (1.0) Calculated Property
Tfus	330.76	K	Relay (1.0) Calculated Property
Vc	0.593	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[512.11; 637.74]	J/mol×K	[612.43; 853.16]
Cp,gas	512.11	J/mol×K	612.43	Joback Calculated Property
Cp,gas	536.24	J/mol×K	652.55	Joback Calculated Property
Cp,gas	558.92	J/mol×K	692.67	Joback Calculated Property
Cp,gas	580.28	J/mol×K	732.80	Joback Calculated Property
Cp,gas	600.45	J/mol×K	772.92	Joback Calculated Property
Cp,gas	619.56	J/mol×K	813.04	Joback Calculated Property
Cp,gas	637.74	J/mol×K	853.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 12-Nor-caryophyll-5-en-2-one.

Sources

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

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