Chemical Properties of humuladienone

InChI

InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5+,12-9+

InChI Key

XWFINABYEHNSEP-VKLURXMVSA-N

Formula

C15H24O

SMILES

CC1=CCC(C)(C)C=CCC(C)C(=O)CC1

Molecular Weight¹

220.35

• 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°	-46.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.12	kJ/mol	Joback Calculated Property
ΔfusH°	12.28	kJ/mol	Joback Calculated Property
ΔvapH°	54.31	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	4.294		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	1580.00		NIST
I	[1952.00; 1952.00]
I	1952.00		NIST
I	1952.00		NIST
Tboil	650.19	K	Joback Calculated Property
Tc	896.37	K	Joback Calculated Property
Tfus	350.51	K	Joback Calculated Property
Vc	0.745	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.67; 693.34]	J/mol×K	[650.19; 896.37]
Cp,gas	564.67	J/mol×K	650.19	Joback Calculated Property
Cp,gas	589.54	J/mol×K	691.22	Joback Calculated Property
Cp,gas	612.94	J/mol×K	732.25	Joback Calculated Property
Cp,gas	634.96	J/mol×K	773.28	Joback Calculated Property
Cp,gas	655.65	J/mol×K	814.31	Joback Calculated Property
Cp,gas	675.09	J/mol×K	855.34	Joback Calculated Property
Cp,gas	693.34	J/mol×K	896.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to humuladienone.

Sources

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

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