Chemical Properties of Tetrahydrohumulene

InChI

InChI=1S/C15H28/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,11,13-14H,5,7-10,12H2,1-4H3/b11-6+

InChI Key

DAQZJCXSMVNPBE-IZZDOVSWSA-N

Formula

C15H28

SMILES

CC1CC=CC(C)(C)CCC(C)CCC1

Molecular Weight¹

208.38

• 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.
• 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
ω	0.2757		Relay (1.0) Calculated Property
ΔfG°	48.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-271.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.01	kJ/mol	Joback Calculated Property
ΔvapH°	59.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-6.22		Relay (1.0) Calculated Property
logPoct/wat	5.195		Crippen Calculated Property
McVol	207.050	ml/mol	McGowan Calculated Property
Pc	1869.17	kPa	Joback Calculated Property
Inp	[1504.00; 1523.00]
Inp	1504.00		NIST
Inp	1523.00		NIST
Inp	1504.00		NIST
I	[1653.00; 1668.00]
I	1653.00		NIST
I	1668.00		NIST
I	1653.00		NIST
Tboil	540.78	K	Relay (1.0) Calculated Property
Tc	709.40	K	Relay (1.0) Calculated Property
Tfus	243.99	K	Relay (1.0) Calculated Property
Vc	0.707	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.70; 686.04]	J/mol×K	[573.56; 803.64]
Cp,gas	540.70	J/mol×K	573.56	Joback Calculated Property
Cp,gas	568.65	J/mol×K	611.91	Joback Calculated Property
Cp,gas	594.99	J/mol×K	650.25	Joback Calculated Property
Cp,gas	619.80	J/mol×K	688.60	Joback Calculated Property
Cp,gas	643.18	J/mol×K	726.95	Joback Calculated Property
Cp,gas	665.23	J/mol×K	765.29	Joback Calculated Property
Cp,gas	686.04	J/mol×K	803.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrohumulene.

Sources

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

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