Chemical Properties of 1,3-Dioxolane, 2-(3-bromophenyl)- (CAS 17789-14-9)

InChI

InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2

InChI Key

VYPYKCPWNPPBBX-UHFFFAOYSA-N

Formula

C9H9BrO2

SMILES

Brc1cccc(C2OCCO2)c1

Molecular Weight¹

229.07

CAS

17789-14-9

Other Names

• m-Bromobenzaldehyde ethylene acetal
• 3-Bromobenzaldehyde ethylene acetal
• 2-(3-Bromophenyl)dioxolane
• 1,3-Dioxolane, 2-(m-bromophenyl)-
• 2-(m-bromophenyl)-1,3-dioxolane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.18; 393.49]	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			-4.25500e+01
Coefficient B			8.84300e-01
Coefficient C			-6.00960e-04
Coefficient D			1.52700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.18	J/mol×K	273.00	Calculated Property
Cp,gas	201.84	J/mol×K	353.78	Calculated Property
Cp,gas	240.77	J/mol×K	434.56	Calculated Property
Cp,gas	274.46	J/mol×K	515.33	Calculated Property
Cp,gas	303.39	J/mol×K	596.11	Calculated Property
Cp,gas	328.03	J/mol×K	676.89	Calculated Property
Cp,gas	348.88	J/mol×K	757.67	Calculated Property
Cp,gas	366.42	J/mol×K	838.44	Calculated Property
Cp,gas	381.13	J/mol×K	919.22	Calculated Property
Cp,gas	393.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025148; 0.0003493]	Pa×s	[353.97; 580.76]	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			-1.10410e+01
Coefficient B			1.78946e+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.			353.97
Temperature range, max.			580.76
η	0.0025148	Pa×s	353.97	Calculated Property
η	0.0017972	Pa×s	379.17	Calculated Property
η	0.0013393	Pa×s	404.37	Calculated Property
η	0.0010331	Pa×s	429.57	Calculated Property
η	0.0008201	Pa×s	454.76	Calculated Property
η	0.0006671	Pa×s	479.96	Calculated Property
η	0.0005539	Pa×s	505.16	Calculated Property
η	0.0004681	Pa×s	530.36	Calculated Property
η	0.0004016	Pa×s	555.56	Calculated Property
η	0.0003493	Pa×s	580.76	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2-(3-bromophenyl)-.

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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