Chemical Properties of 9,11-Eremophiladien-8-one

InChI

InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3

InChI Key

DIZRSLUNVNGBPA-UHFFFAOYSA-N

Formula

C15H22O

SMILES

C=C(C)C1CC2(C)C(=CC1=O)CCCC2C

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.
• 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°	112.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-212.82	kJ/mol	Joback Calculated Property
ΔfusH°	15.00	kJ/mol	Joback Calculated Property
ΔvapH°	52.65	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.904		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2098.42	kPa	Joback Calculated Property
Inp	[1740.00; 1740.00]
Inp	1740.00		NIST
Inp	1740.00		NIST
Tboil	637.25	K	Joback Calculated Property
Tc	875.13	K	Joback Calculated Property
Tfus	366.05	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.13; 657.81]	J/mol×K	[637.25; 875.13]
Cp,gas	540.13	J/mol×K	637.25	Joback Calculated Property
Cp,gas	562.46	J/mol×K	676.90	Joback Calculated Property
Cp,gas	583.51	J/mol×K	716.54	Joback Calculated Property
Cp,gas	603.42	J/mol×K	756.19	Joback Calculated Property
Cp,gas	622.34	J/mol×K	795.83	Joback Calculated Property
Cp,gas	640.42	J/mol×K	835.48	Joback Calculated Property
Cp,gas	657.81	J/mol×K	875.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,11-Eremophiladien-8-one.

Sources

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

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