Chemical Properties of Cadinan-3-«beta»,10-«beta»-diol

InChI

InChI=1S/C15H28O2/c1-9(2)11-5-6-15(4,17)13-8-14(16)10(3)7-12(11)13/h9-14,16-17H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15-/m0/s1

InChI Key

OSZJZKFYUTYGQX-GBGJHRCWSA-N

Formula

C15H28O2

SMILES

CC(C)C1CCC(C)(O)C2CC(O)C(C)CC12

Molecular Weight¹

240.38

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[287.06; 831.63]	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			-1.49050e+02
Coefficient B			1.95208e+00
Coefficient C			-1.42200e-03
Coefficient D			4.50600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.06	J/mol×K	273.00	Calculated Property
Cp,gas	383.53	J/mol×K	353.78	Calculated Property
Cp,gas	467.69	J/mol×K	434.56	Calculated Property
Cp,gas	540.95	J/mol×K	515.33	Calculated Property
Cp,gas	604.75	J/mol×K	596.11	Calculated Property
Cp,gas	660.51	J/mol×K	676.89	Calculated Property
Cp,gas	709.65	J/mol×K	757.67	Calculated Property
Cp,gas	753.60	J/mol×K	838.44	Calculated Property
Cp,gas	793.79	J/mol×K	919.22	Calculated Property
Cp,gas	831.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cadinan-3-«beta»,10-«beta»-diol.

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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