Chemical Properties of «alpha»-Cyperone

InChI

InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12?,15-/m1/s1

InChI Key

KUFXJZXMWHNCEH-WPZCJLIBSA-N

Formula

C15H22O

SMILES

C=C(C)C1CCC2(C)CCC(=O)C(C)=C2C1

Molecular Weight¹

218.33

• 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.
• 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
ΔfG°	110.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-203.95	kJ/mol	Joback Calculated Property
ΔfusH°	13.54	kJ/mol	Joback Calculated Property
ΔvapH°	53.62	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Inp	[1710.00; 1752.00]
Inp	1746.00		NIST
Inp	1713.00		NIST
Inp	1727.00		NIST
Inp	1752.00		NIST
Inp	1729.00		NIST
Inp	1710.00		NIST
Inp	1719.00		NIST
Inp	1746.00		NIST
Inp	1752.00		NIST
I	[2283.00; 2348.00]
I	2328.00		NIST
I	2335.00		NIST
I	2283.00		NIST
I	2348.00		NIST
I	2283.00		NIST
Tboil	646.90	K	Joback Calculated Property
Tc	885.57	K	Joback Calculated Property
Tfus	382.81	K	Joback Calculated Property
Vc	0.731	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.47; 652.86]	J/mol×K	[646.90; 885.57]
Cp,gas	538.47	J/mol×K	646.90	Joback Calculated Property
Cp,gas	560.03	J/mol×K	686.68	Joback Calculated Property
Cp,gas	580.39	J/mol×K	726.46	Joback Calculated Property
Cp,gas	599.70	J/mol×K	766.24	Joback Calculated Property
Cp,gas	618.11	J/mol×K	806.02	Joback Calculated Property
Cp,gas	635.78	J/mol×K	845.79	Joback Calculated Property
Cp,gas	652.86	J/mol×K	885.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Cyperone.

Sources

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

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