Chemical Properties of 1-Bromo-8-tetrahydropyranyloxyoctane (CAS 50816-20-1)

InChI

InChI=1S/C13H25BrO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13H,1-12H2

InChI Key

JCRBYQZIJFWGOO-UHFFFAOYSA-N

Formula

C13H25BrO2

SMILES

BrCCCCCCCCOC1CCCCO1

Molecular Weight¹

293.24

CAS

50816-20-1

Other Names

• 2H-Pyran, 2-[(8-bromooctyl)oxy]tetrahydro-
• 8-Bromooctyl tetrahydropyranyl ether
• 2-[(8-bromooctyl)oxy]tetrahydro-2H-pyran

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[289.89; 722.18]	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			-2.35220e+01
Coefficient B			1.33290e+00
Coefficient C			-7.10900e-04
Coefficient D			1.23700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.89	J/mol×K	273.00	Calculated Property
Cp,gas	364.53	J/mol×K	353.78	Calculated Property
Cp,gas	431.60	J/mol×K	434.56	Calculated Property
Cp,gas	491.50	J/mol×K	515.33	Calculated Property
Cp,gas	544.62	J/mol×K	596.11	Calculated Property
Cp,gas	591.35	J/mol×K	676.89	Calculated Property
Cp,gas	632.08	J/mol×K	757.67	Calculated Property
Cp,gas	667.20	J/mol×K	838.44	Calculated Property
Cp,gas	697.10	J/mol×K	919.22	Calculated Property
Cp,gas	722.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026778; 0.0002044]	Pa×s	[352.25; 582.53]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.24310e+01
Coefficient B			2.29253e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			352.25
Temperature range, max.			582.53
η	0.0026778	Pa×s	352.25	Calculated Property
η	0.0017234	Pa×s	377.84	Calculated Property
η	0.0011729	Pa×s	403.42	Calculated Property
η	0.0008357	Pa×s	429.01	Calculated Property
η	0.0006186	Pa×s	454.60	Calculated Property
η	0.0004729	Pa×s	480.18	Calculated Property
η	0.0003714	Pa×s	505.77	Calculated Property
η	0.0002986	Pa×s	531.36	Calculated Property
η	0.0002449	Pa×s	556.94	Calculated Property
η	0.0002044	Pa×s	582.53	Calculated Property

Similar Compounds

Find more compounds similar to 1-Bromo-8-tetrahydropyranyloxyoctane.

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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