Chemical Properties of Isohibaene

InChI

InChI=1S/C20H32/c1-17(2)8-5-9-19(4)15(17)7-11-20-13-12-18(3,14-20)10-6-16(19)20/h12-13,15-16H,5-11,14H2,1-4H3/t15?,16?,18-,19?,20+/m1/s1

InChI Key

GXMKKDDGINQVBE-WANGQUDJSA-N

Formula

C20H32

SMILES

CC1(C)CCCC2(C)C1CC[C@@]13C=C[C@@](C)(CCC21)C3

Molecular Weight¹

272.48

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.87	kJ/mol	Joback Calculated Property
logPoct/wat	5.975		Crippen Calculated Property
McVol	244.920	ml/mol	McGowan Calculated Property
Inp	[1914.00; 1942.00]
Inp	1914.00		NIST
Inp	Outlier 1942.00		NIST
Inp	1916.00		NIST
Inp	1933.00		NIST
Inp	1923.00		NIST
Inp	1923.00		NIST
Inp	1926.00		NIST
Inp	1922.00		NIST
Inp	1926.00		NIST
Inp	1923.00		NIST
Inp	1914.00		NIST
Inp	1922.00		NIST
Ip	[2204.00; 2245.00]
Ip	2204.00		NIST
Ip	2245.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[298.76; 988.55]	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			-4.17050e+02
Coefficient B			3.52768e+00
Coefficient C			-3.76628e-03
Coefficient D			1.64420e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.76	J/mol×K	273.00	Calculated Property
Cp,gas	432.38	J/mol×K	353.78	Calculated Property
Cp,gas	539.63	J/mol×K	434.56	Calculated Property
Cp,gas	625.70	J/mol×K	515.33	Calculated Property
Cp,gas	695.78	J/mol×K	596.11	Calculated Property
Cp,gas	755.09	J/mol×K	676.89	Calculated Property
Cp,gas	808.83	J/mol×K	757.67	Calculated Property
Cp,gas	862.18	J/mol×K	838.44	Calculated Property
Cp,gas	920.35	J/mol×K	919.22	Calculated Property
Cp,gas	988.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isohibaene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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