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_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°	262.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-37.23	kJ/mol	Joback Calculated Property
ΔfusH°	5.83	kJ/mol	Joback Calculated Property
ΔvapH°	45.46	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2274.07	kPa	Joback 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
Tboil	566.57	K	Joback Calculated Property
Tc	800.20	K	Joback Calculated Property
Tfus	386.73	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

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

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.