Chemical Properties of Muurol-4-en-3,8-dione

InChI

InChI=1S/C15H22O2/c1-8(2)15-12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,8-9,11-12,15H,6-7H2,1-4H3/t9?,11?,12?,15-/m1/s1

InChI Key

CUTPLKRCZNTUMR-CIPDSAHDSA-N

Formula

C15H22O2

SMILES

CC1=CC2C(CC1=O)C(C)CC(=O)C2C(C)C

Molecular Weight¹

234.33

• 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.
• 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°	-94.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-507.02	kJ/mol	Joback Calculated Property
ΔfusH°	20.95	kJ/mol	Joback Calculated Property
ΔvapH°	57.94	kJ/mol	Joback Calculated Property
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	3.019		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	1949.23	kPa	Joback Calculated Property
Inp	[1784.00; 1784.00]
Inp	1784.00		NIST
Inp	1784.00		NIST
Tboil	703.16	K	Joback Calculated Property
Tc	939.59	K	Joback Calculated Property
Tfus	406.85	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.67; 718.80]	J/mol×K	[703.16; 939.59]
Cp,gas	608.67	J/mol×K	703.16	Joback Calculated Property
Cp,gas	630.97	J/mol×K	742.56	Joback Calculated Property
Cp,gas	651.72	J/mol×K	781.97	Joback Calculated Property
Cp,gas	670.90	J/mol×K	821.37	Joback Calculated Property
Cp,gas	688.49	J/mol×K	860.78	Joback Calculated Property
Cp,gas	704.46	J/mol×K	900.18	Joback Calculated Property
Cp,gas	718.80	J/mol×K	939.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Muurol-4-en-3,8-dione.

Sources

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

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