Chemical Properties of 4-Desmethyl caryophyl-8(14)-en-5-one

InChI

InChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3/t12-,13-/m0/s1

InChI Key

SVROROODYLVLSH-STQMWFEESA-N

Formula

C14H22O

SMILES

C=C1CCC(=O)CCCC2C1CC2(C)C

Molecular Weight¹

206.32

• 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°	45.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-276.05	kJ/mol	Joback Calculated Property
ΔfusH°	10.91	kJ/mol	Joback Calculated Property
ΔvapH°	50.39	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	3.738		Crippen Calculated Property
McVol	183.670	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1524.00; 1524.00]
Inp	1524.00		NIST
Inp	1524.00		NIST
Tboil	617.10	K	Joback Calculated Property
Tc	857.50	K	Joback Calculated Property
Tfus	367.38	K	Joback Calculated Property
Vc	0.681	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[510.01; 632.83]	J/mol×K	[617.10; 857.50]
Cp,gas	510.01	J/mol×K	617.10	Joback Calculated Property
Cp,gas	533.52	J/mol×K	657.17	Joback Calculated Property
Cp,gas	555.64	J/mol×K	697.23	Joback Calculated Property
Cp,gas	576.51	J/mol×K	737.30	Joback Calculated Property
Cp,gas	596.24	J/mol×K	777.37	Joback Calculated Property
Cp,gas	614.97	J/mol×K	817.43	Joback Calculated Property
Cp,gas	632.83	J/mol×K	857.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Desmethyl caryophyl-8(14)-en-5-one.

Sources

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

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