Chemical Properties of «alpha»-Bourbonene

InChI

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h5,9,11-14H,6-8H2,1-4H3

InChI Key

FAIMMSRDTUMTQR-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CCC2C1C1C(C(C)C)CCC21C

Molecular Weight¹

204.35

• 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°	20.07	kJ/mol	Joback Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1367.00; 1409.00]
Inp	Outlier 1409.00		NIST
Inp	1383.00		NIST
Inp	1374.00		NIST
Inp	1384.00		NIST
Inp	1376.00		NIST
Inp	1378.00		NIST
Inp	1367.00		NIST
Inp	1367.00		NIST
Inp	1400.00		NIST
Inp	1384.00		NIST
Ip	[1506.00; 1530.00]
Ip	1514.00		NIST
Ip	1528.00		NIST
Ip	1513.00		NIST
Ip	1529.00		NIST
Ip	1529.00		NIST
Ip	1529.00		NIST
Ip	1529.00		NIST
Ip	Outlier 1506.00		NIST
Ip	1516.00		NIST
Ip	1516.00		NIST
Ip	1528.00		NIST
Ip	1528.00		NIST
Ip	1528.00		NIST
Ip	1529.00		NIST
Ip	1528.00		NIST
Ip	1530.00		NIST
Ip	1528.00		NIST
Ip	1528.00		NIST
Ip	1528.00		NIST
Ip	1528.00		NIST
Ip	1528.00		NIST
Ip	1529.00		NIST
Ip	1529.00		NIST
Ip	1529.00		NIST
Ip	1515.00		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	[244.83; 721.03]	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			-1.84310e+02
Coefficient B			2.00128e+00
Coefficient C			-1.75164e-03
Coefficient D			6.55700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.83	J/mol×K	273.00	Calculated Property
Cp,gas	333.50	J/mol×K	353.78	Calculated Property
Cp,gas	408.39	J/mol×K	434.56	Calculated Property
Cp,gas	471.57	J/mol×K	515.33	Calculated Property
Cp,gas	525.13	J/mol×K	596.11	Calculated Property
Cp,gas	571.13	J/mol×K	676.89	Calculated Property
Cp,gas	611.64	J/mol×K	757.67	Calculated Property
Cp,gas	648.75	J/mol×K	838.44	Calculated Property
Cp,gas	684.52	J/mol×K	919.22	Calculated Property
Cp,gas	721.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Bourbonene.

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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