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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• I_p : 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	0.2551		Relay (1.0) Calculated Property
ΔfH°gas	-59.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.54	kJ/mol	Joback Calculated Property
ΔvapH°	64.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) 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	1483.00		NIST
Inp	1487.00		NIST
Inp	1487.00		NIST
Ip	[1682.00; 1682.00]
Ip	1682.00		NIST
Ip	1682.00		NIST
Tboil	537.19	K	Relay (1.0) Calculated Property
Tc	723.76	K	Relay (1.0) Calculated Property
Tfus	248.12	K	Relay (1.0) Calculated Property
Vc	0.654	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.29; 696.94]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.98000e+01
Coefficient B			1.50586e+00
Coefficient C			-9.88920e-04
Coefficient D			2.79800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.29	J/mol×K	273.00	Calculated Property
Cp,gas	321.56	J/mol×K	353.78	Calculated Property
Cp,gas	390.79	J/mol×K	434.56	Calculated Property
Cp,gas	451.89	J/mol×K	515.33	Calculated Property
Cp,gas	505.72	J/mol×K	596.11	Calculated Property
Cp,gas	553.17	J/mol×K	676.89	Calculated Property
Cp,gas	595.14	J/mol×K	757.67	Calculated Property
Cp,gas	632.50	J/mol×K	838.44	Calculated Property
Cp,gas	666.14	J/mol×K	919.22	Calculated Property
Cp,gas	696.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Humulene.

Sources

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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