Chemical Properties of cis-«alpha»-Bergamotene

InChI

InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15?/m0/s1

InChI Key

YMBFCQPIMVLNIU-ZYOSVBKOSA-N

Formula

C15H24

SMILES

CC(C)=CCCC1(C)C2CC=C(C)C1C2

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	0.3549		Relay (1.0) Calculated Property
ΔfG°	263.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-43.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.27	kJ/mol	Joback Calculated Property
ΔvapH°	63.46	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1918.62	kPa	Joback Calculated Property
Inp	[1410.00; 1421.00]
Inp	1410.00		NIST
Inp	1421.00		NIST
Inp	1419.00		NIST
Inp	1412.00		NIST
Inp	1412.00		NIST
Inp	1415.00		NIST
Inp	1415.00		NIST
Inp	1413.00		NIST
Inp	1421.00		NIST
Inp	1413.00		NIST
Inp	1410.00		NIST
Tboil	536.39	K	Relay (1.0) Calculated Property
Tc	757.08	K	Relay (1.0) Calculated Property
Tfus	239.35	K	Relay (1.0) Calculated Property
Vc	0.656	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.98; 604.03]	J/mol×K	[564.10; 771.48]
Cp,gas	496.98	J/mol×K	564.10	Joback Calculated Property
Cp,gas	517.47	J/mol×K	598.66	Joback Calculated Property
Cp,gas	536.69	J/mol×K	633.23	Joback Calculated Property
Cp,gas	554.80	J/mol×K	667.79	Joback Calculated Property
Cp,gas	571.95	J/mol×K	702.35	Joback Calculated Property
Cp,gas	588.31	J/mol×K	736.92	Joback Calculated Property
Cp,gas	604.03	J/mol×K	771.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-«alpha»-Bergamotene.

Sources

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

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