Chemical Properties of 10-epi-Cubebol (CAS 176589-53-0)

InChI

InChI=1S/C15H24O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h5-6,9-13,16H,7-8H2,1-4H3/t10-,11-,12+,13?,14-,15+/m0/s1

InChI Key

LMCRYOCEDDKMQA-ZRGDOOIKSA-N

Formula

C15H24O

SMILES

CC(C)C1C=CC(C)C23CCC(C)(O)C2C13

Molecular Weight¹

220.35

CAS

176589-53-0

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
logPoct/wat	3.242		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1534.00; 1545.00]
Inp	1534.00		NIST
Inp	1534.00		NIST
Inp	1545.00		NIST
Inp	1534.00		NIST
I	[1899.00; 1899.00]
I	1899.00		NIST
I	1899.00		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	[253.12; 756.73]	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			-2.37370e+02
Coefficient B			2.36018e+00
Coefficient C			-2.32628e-03
Coefficient D			9.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.12	J/mol×K	273.00	Calculated Property
Cp,gas	348.97	J/mol×K	353.78	Calculated Property
Cp,gas	427.76	J/mol×K	434.56	Calculated Property
Cp,gas	492.53	J/mol×K	515.33	Calculated Property
Cp,gas	546.32	J/mol×K	596.11	Calculated Property
Cp,gas	592.15	J/mol×K	676.89	Calculated Property
Cp,gas	633.07	J/mol×K	757.67	Calculated Property
Cp,gas	672.12	J/mol×K	838.44	Calculated Property
Cp,gas	712.33	J/mol×K	919.22	Calculated Property
Cp,gas	756.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 10-epi-Cubebol.

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.
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