Chemical Properties of Isobazzanene

InChI

InChI=1S/C15H24/c1-12-7-10-15(4,11-8-12)13-6-5-9-14(13,2)3/h6-7H,5,8-11H2,1-4H3/t15-/m1/s1

InChI Key

WUOZOSFJWTXTKG-OAHLLOKOSA-N

Formula

C15H24

SMILES

CC1=CCC(C)(C2=CCCC2(C)C)CC1

Molecular Weight¹

204.35

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3074		Relay (1.0) Calculated Property
ΔfG°	166.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-72.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.45	kJ/mol	Joback Calculated Property
ΔvapH°	60.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2181.56	kPa	Joback Calculated Property
Inp	[1442.00; 1442.00]
Inp	1442.00		NIST
Inp	1442.00		NIST
Tboil	527.94	K	Relay (1.0) Calculated Property
Tc	726.63	K	Relay (1.0) Calculated Property
Tfus	256.20	K	Relay (1.0) Calculated Property
Vc	0.684	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.78; 620.93]	J/mol×K	[586.19; 822.53]
Cp,gas	500.78	J/mol×K	586.19	Joback Calculated Property
Cp,gas	523.43	J/mol×K	625.58	Joback Calculated Property
Cp,gas	544.65	J/mol×K	664.97	Joback Calculated Property
Cp,gas	564.73	J/mol×K	704.36	Joback Calculated Property
Cp,gas	583.94	J/mol×K	743.75	Joback Calculated Property
Cp,gas	602.58	J/mol×K	783.14	Joback Calculated Property
Cp,gas	620.93	J/mol×K	822.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobazzanene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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