Chemical Properties of «gamma»-Humulene

InChI

InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3/b12-10+,13-7+

InChI Key

FNXUOGPQAOCFKU-PVYBRLDNSA-N

Formula

C15H24

SMILES

C=C1C=CC(C)(C)CCCC(C)=CCC1

Molecular Weight¹

204.35

• 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°	137.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-125.84	kJ/mol	Joback Calculated Property
ΔfusH°	10.54	kJ/mol	Joback Calculated Property
ΔvapH°	50.53	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	5.035		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[1483.00; 1487.00]
Inp	1483.00		NIST
Inp	1487.00		NIST
Inp	1483.00		NIST
Inp	1487.00		NIST
I	[1682.00; 1682.00]
I	1682.00		NIST
I	1682.00		NIST
Tboil	586.20	K	Joback Calculated Property
Tc	821.65	K	Joback Calculated Property
Tfus	300.21	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.47; 625.07]	J/mol×K	[586.20; 821.65]
Cp,gas	499.47	J/mol×K	586.20	Joback Calculated Property
Cp,gas	523.64	J/mol×K	625.44	Joback Calculated Property
Cp,gas	546.38	J/mol×K	664.68	Joback Calculated Property
Cp,gas	567.79	J/mol×K	703.92	Joback Calculated Property
Cp,gas	587.97	J/mol×K	743.17	Joback Calculated Property
Cp,gas	607.03	J/mol×K	782.41	Joback Calculated Property
Cp,gas	625.07	J/mol×K	821.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Humulene.

Sources

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

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