Chemical Properties of Tumerone (CAS 180315-67-7)

InChI

InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13H,6,8,10H2,1-4H3

InChI Key

ZMIQNSSHYBJKIL-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC(C)=CC(=O)CC(C)C1=CC=C(C)CC1

Molecular Weight¹

218.33

CAS

180315-67-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.00	kJ/mol	Joback Calculated Property
logPoct/wat	4.214		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Inp	[1631.00; 1680.30]
Inp	1654.00		NIST
Inp	1650.00		NIST
Inp	1649.00		NIST
Inp	Outlier 1680.30		NIST
Inp	1632.00		NIST
Inp	1631.00		NIST
Inp	1632.00		NIST
Inp	1649.00		NIST
I	[2245.00; 2245.00]
I	2245.00		NIST
I	2245.00		NIST
Tboil	530.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.61; 613.27]	J/mol×K	[632.77; 846.48]
Cp,gas	519.61	J/mol×K	632.77	Joback Calculated Property
Cp,gas	537.77	J/mol×K	668.39	Joback Calculated Property
Cp,gas	554.84	J/mol×K	704.01	Joback Calculated Property
Cp,gas	570.87	J/mol×K	739.62	Joback Calculated Property
Cp,gas	585.92	J/mol×K	775.24	Joback Calculated Property
Cp,gas	600.03	J/mol×K	810.86	Joback Calculated Property
Cp,gas	613.27	J/mol×K	846.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tumerone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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