Chemical Properties of trans-Phenanthrene, 9,10-dihydro-9,10-diol, butylboronate

InChI

InChI=1S/C18H19BO2/c1-2-3-12-19-20-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18(17)21-19/h4-11,17-18H,2-3,12H2,1H3/t17-,18-/m1/s1

InChI Key

ZTXNKDBFIHNYIO-QZTJIDSGSA-N

Formula

C18H19BO2

SMILES

CCCCB1OC2c3ccccc3-c3ccccc3C2O1

Molecular Weight¹

278.15

• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	4.784		Crippen Calculated Property
Inp	[2165.00; 2165.00]
Inp	2165.00		NIST
Inp	2165.00		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.

Similar Compounds

Find more compounds similar to trans-Phenanthrene, 9,10-dihydro-9,10-diol, butylboronate.

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
• NIST Webbook

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