Chemical Properties of Isomethyl-«alpha»-damascone

InChI

InChI=1S/C14H22O/c1-6-10(2)13(15)12-11(3)8-7-9-14(12,4)5/h6H,7-9H2,1-5H3/b10-6+

InChI Key

HFNLNVUEMZKZCC-UXBLZVDNSA-N

Formula

C14H22O

SMILES

CC=C(C)C(=O)C1=C(C)CCCC1(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	0.3890		Relay (1.0) Calculated Property
ΔfG°	39.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.49	kJ/mol	Joback Calculated Property
ΔvapH°	65.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1629.00; 1629.00]
Inp	1629.00		NIST
Inp	1629.00		NIST
Tboil	520.39	K	Relay (1.0) Calculated Property
Tc	737.81	K	Relay (1.0) Calculated Property
Tfus	278.66	K	Relay (1.0) Calculated Property
Vc	0.654	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[487.69; 586.80]	J/mol×K	[606.54; 825.60]
Cp,gas	487.69	J/mol×K	606.54	Joback Calculated Property
Cp,gas	506.36	J/mol×K	643.05	Joback Calculated Property
Cp,gas	523.99	J/mol×K	679.56	Joback Calculated Property
Cp,gas	540.71	J/mol×K	716.07	Joback Calculated Property
Cp,gas	556.67	J/mol×K	752.58	Joback Calculated Property
Cp,gas	571.99	J/mol×K	789.09	Joback Calculated Property
Cp,gas	586.80	J/mol×K	825.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isomethyl-«alpha»-damascone.

Sources

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

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