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

C/C1=C\CCC(C)CCC(C)(C)/C=C/C1

Molecular Weight¹

206.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.77	kJ/mol	Joback Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
logPoct/wat	5.115		Crippen Calculated Property
McVol	202.750	ml/mol	McGowan Calculated Property
Inp	[1483.00; 1503.00]
Inp	1483.00		NIST
Inp	1503.00		NIST
Inp	1483.00		NIST
Ip	[1655.00; 1678.00]
Ip	1655.00		NIST
Ip	1678.00		NIST
Ip	1655.00		NIST
Tboil	540.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.05; 735.51]	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			-1.16150e+02
Coefficient B			1.59688e+00
Coefficient C			-1.02592e-03
Coefficient D			2.80700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.05	J/mol×K	273.00	Calculated Property
Cp,gas	332.82	J/mol×K	353.78	Calculated Property
Cp,gas	407.08	J/mol×K	434.56	Calculated Property
Cp,gas	472.74	J/mol×K	515.33	Calculated Property
Cp,gas	530.67	J/mol×K	596.11	Calculated Property
Cp,gas	581.76	J/mol×K	676.89	Calculated Property
Cp,gas	626.90	J/mol×K	757.67	Calculated Property
Cp,gas	666.98	J/mol×K	838.44	Calculated Property
Cp,gas	702.89	J/mol×K	919.22	Calculated Property
Cp,gas	735.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dihydrohumulene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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