Chemical Properties of endo-1-Bourbonanol (CAS 131435-09-1)

InChI

InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12?,13-,14-,15-/m0/s1

InChI Key

HNNQYJPDMHXZMQ-KQPKEGRRSA-N

Formula

C15H26O

SMILES

CC(C)[C@@H]1CC[C@]2(C)C1[C@@H]1[C@H]2CC[C@]1(C)O

Molecular Weight¹

222.37

CAS

131435-09-1

Other Names

• Bourbonanol (endo-1)
• endo Bourbonanol

• 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°	18.09	kJ/mol	Joback Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Inp	[1515.00; 1532.00]
Inp	1515.00		NIST
Inp	Outlier 1532.00		NIST
Inp	1515.00		NIST
Inp	1518.00		NIST
Inp	1516.00		NIST
Inp	1522.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1516.00		NIST
Ip	[2048.00; 2048.00]
Ip	2048.00		NIST
Ip	2048.00		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	[259.59; 788.03]	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			-2.45150e+02
Coefficient B			2.41618e+00
Coefficient C			-2.33900e-03
Coefficient D			9.56000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.59	J/mol×K	273.00	Calculated Property
Cp,gas	359.22	J/mol×K	353.78	Calculated Property
Cp,gas	441.57	J/mol×K	434.56	Calculated Property
Cp,gas	509.66	J/mol×K	515.33	Calculated Property
Cp,gas	566.51	J/mol×K	596.11	Calculated Property
Cp,gas	615.15	J/mol×K	676.89	Calculated Property
Cp,gas	658.59	J/mol×K	757.67	Calculated Property
Cp,gas	699.87	J/mol×K	838.44	Calculated Property
Cp,gas	742.01	J/mol×K	919.22	Calculated Property
Cp,gas	788.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to endo-1-Bourbonanol.

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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