Chemical Properties of Cadinan-10-«beta»-ol, 2-«alpha»,3-«alpha»-epoxy

InChI

InChI=1S/C15H26O2/c1-8(2)10-5-6-15(4,16)12-11(10)7-9(3)13-14(12)17-13/h8-14,16H,5-7H2,1-4H3/t9?,10?,11?,12?,13-,14?,15-/m0/s1

InChI Key

RSTBBOJWVDGMGG-CRIWNQTOSA-N

Formula

C15H26O2

SMILES

CC(C)C1CCC(C)(O)C2C1CC(C)C1OC12

Molecular Weight¹

238.37

• 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.
• 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, 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	[278.26; 808.66]	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			-1.77020e+02
Coefficient B			2.08518e+00
Coefficient C			-1.69070e-03
Coefficient D			5.91200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.26	J/mol×K	273.00	Calculated Property
Cp,gas	375.24	J/mol×K	353.78	Calculated Property
Cp,gas	458.35	J/mol×K	434.56	Calculated Property
Cp,gas	529.46	J/mol×K	515.33	Calculated Property
Cp,gas	590.42	J/mol×K	596.11	Calculated Property
Cp,gas	643.13	J/mol×K	676.89	Calculated Property
Cp,gas	689.43	J/mol×K	757.67	Calculated Property
Cp,gas	731.21	J/mol×K	838.44	Calculated Property
Cp,gas	770.33	J/mol×K	919.22	Calculated Property
Cp,gas	808.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cadinan-10-«beta»-ol, 2-«alpha»,3-«alpha»-epoxy.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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