Chemical Properties of 3-Buten-1-ol, tribromoacetate

InChI

InChI=1S/C6H7Br3O2/c1-2-3-4-11-5(10)6(7,8)9/h2H,1,3-4H2

InChI Key

OXFDEYLWHBTVJU-UHFFFAOYSA-N

Formula

C6H7Br3O2

SMILES

C=CCCOC(=O)C(Br)(Br)Br

Molecular Weight¹

350.83

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, 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	[179.79; 337.15]	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			1.99520e+01
Coefficient B			7.39400e-01
Coefficient C			-6.16900e-04
Coefficient D			1.94700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.79	J/mol×K	273.00	Calculated Property
Cp,gas	212.95	J/mol×K	353.78	Calculated Property
Cp,gas	240.75	J/mol×K	434.56	Calculated Property
Cp,gas	263.81	J/mol×K	515.33	Calculated Property
Cp,gas	282.74	J/mol×K	596.11	Calculated Property
Cp,gas	298.18	J/mol×K	676.89	Calculated Property
Cp,gas	310.72	J/mol×K	757.67	Calculated Property
Cp,gas	320.98	J/mol×K	838.44	Calculated Property
Cp,gas	329.59	J/mol×K	919.22	Calculated Property
Cp,gas	337.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019286; 0.0002424]	Pa×s	[379.77; 578.22]	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			-1.22937e+01
Coefficient B			2.29484e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			379.77
Temperature range, max.			578.22
η	0.0019286	Pa×s	379.77	Calculated Property
η	0.0013843	Pa×s	401.82	Calculated Property
η	0.0010285	Pa×s	423.87	Calculated Property
η	0.0007869	Pa×s	445.92	Calculated Property
η	0.0006175	Pa×s	467.97	Calculated Property
η	0.0004952	Pa×s	490.02	Calculated Property
η	0.0004048	Pa×s	512.07	Calculated Property
η	0.0003364	Pa×s	534.12	Calculated Property
η	0.0002837	Pa×s	556.17	Calculated Property
η	0.0002424	Pa×s	578.22	Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-1-ol, tribromoacetate.

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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