Chemical Properties of Dihydrohumulene

InChI

InChI=1S/C15H26/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,11,14H,5,8-10,12H2,1-4H3/b11-6+,13-7+

InChI Key

KPNMFYMJBVVPSP-NBPRNCBBSA-N

Formula

C15H26

SMILES

CC1=CCCC(C)CCC(C)(C)C=CC1

Molecular Weight¹

206.37

• 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	0.2501		Relay (1.0) Calculated Property
ΔfG°	76.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-142.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.77	kJ/mol	Joback Calculated Property
ΔvapH°	61.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-5.74		Relay (1.0) Calculated Property
logPoct/wat	5.115		Crippen Calculated Property
McVol	202.750	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[1483.00; 1503.00]
Inp	1483.00		NIST
Inp	1503.00		NIST
I	[1655.00; 1678.00]
I	1655.00		NIST
I	1655.00		NIST
I	1678.00		NIST
Tboil	541.53	K	Relay (1.0) Calculated Property
Tc	704.27	K	Relay (1.0) Calculated Property
Tfus	243.05	K	Relay (1.0) Calculated Property
Vc	0.674	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.32; 656.19]	J/mol×K	[582.37; 815.77]
Cp,gas	521.32	J/mol×K	582.37	Joback Calculated Property
Cp,gas	547.27	J/mol×K	621.27	Joback Calculated Property
Cp,gas	571.70	J/mol×K	660.17	Joback Calculated Property
Cp,gas	594.71	J/mol×K	699.07	Joback Calculated Property
Cp,gas	616.40	J/mol×K	737.97	Joback Calculated Property
Cp,gas	636.86	J/mol×K	776.87	Joback Calculated Property
Cp,gas	656.19	J/mol×K	815.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydrohumulene.

Sources

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

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