Chemical Properties of cis-Tetralin-1,2-diol, methylboronate

InChI

InChI=1S/C11H13BO2/c1-12-13-10-7-6-8-4-2-3-5-9(8)11(10)14-12/h2-5,10-11H,6-7H2,1H3/t10-,11+/m0/s1

InChI Key

ZMVIKJBMRGOUEP-WDEREUQCSA-N

Formula

C11H13BO2

SMILES

CB1OC2CCc3ccccc3C2O1

Molecular Weight¹

188.03

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	9.04	eV	Relay (1.0) Calculated Property
logPoct/wat	2.207		Crippen Calculated Property
Inp	[1400.00; 1400.00]
Inp	1400.00		NIST
Inp	1400.00		NIST
Tboil	538.65	K	Relay (1.0) Calculated Property
Tfus	334.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 cis-Tetralin-1,2-diol, methylboronate.

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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