Chemical Properties of «beta»-Barbatene (CAS 72346-55-5)

InChI

InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h12H,1,5-10H2,2-4H3

InChI Key

RTONMYLSQISFQA-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1CCC2(C)CC1C1(C)CCCC21C

Molecular Weight¹

204.35

CAS

72346-55-5

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	5.83	kJ/mol	Joback Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1440.00; 1473.00]
Inp	Outlier 1473.00		NIST
Inp	1440.50		NIST
Inp	1441.00		NIST
Inp	1445.00		NIST
Inp	1445.00		NIST
Inp	1451.60		NIST
Inp	1463.00		NIST
Inp	1465.00		NIST
Inp	1440.00		NIST
Inp	1444.00		NIST
Inp	1458.00		NIST
Inp	1440.00		NIST
Inp	1440.00		NIST
Inp	1441.00		NIST
I	[1667.00; 1718.00]
I	1693.00		NIST
I	1690.00		NIST
I	1687.00		NIST
I	1687.00		NIST
I	1689.00		NIST
I	1689.00		NIST
I	1693.00		NIST
I	1693.00		NIST
I	1693.00		NIST
I	1693.00		NIST
I	1718.00		NIST
I	1690.00		NIST
I	1712.00		NIST
I	1667.00		NIST
I	1667.00		NIST
I	1693.00		NIST
I	1689.00		NIST
I	1718.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[500.14; 619.44]	J/mol×K	[566.57; 800.20]
Cp,gas	500.14	J/mol×K	566.57	Joback Calculated Property
Cp,gas	522.76	J/mol×K	605.51	Joback Calculated Property
Cp,gas	543.69	J/mol×K	644.45	Joback Calculated Property
Cp,gas	563.39	J/mol×K	683.38	Joback Calculated Property
Cp,gas	582.28	J/mol×K	722.32	Joback Calculated Property
Cp,gas	600.82	J/mol×K	761.26	Joback Calculated Property
Cp,gas	619.44	J/mol×K	800.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Barbatene.

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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