Chemical Properties of 4-Penten-2-ol, tribromoacetate

InChI

InChI=1S/C7H9Br3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h3,5H,1,4H2,2H3

InChI Key

HHZMCGURKPTEQC-UHFFFAOYSA-N

Formula

C7H9Br3O2

SMILES

C=CCC(C)OC(=O)C(Br)(Br)Br

Molecular Weight¹

364.86

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.69; 389.28]	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			1.73610e+01
Coefficient B			8.40320e-01
Coefficient C			-6.74500e-04
Coefficient D			2.06100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.69	J/mol×K	273.00	Calculated Property
Cp,gas	239.35	J/mol×K	353.78	Calculated Property
Cp,gas	272.07	J/mol×K	434.56	Calculated Property
Cp,gas	299.49	J/mol×K	515.33	Calculated Property
Cp,gas	322.26	J/mol×K	596.11	Calculated Property
Cp,gas	341.04	J/mol×K	676.89	Calculated Property
Cp,gas	356.48	J/mol×K	757.67	Calculated Property
Cp,gas	369.24	J/mol×K	838.44	Calculated Property
Cp,gas	379.95	J/mol×K	919.22	Calculated Property
Cp,gas	389.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021682; 0.0002029]	Pa×s	[376.04; 594.12]	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			-1.25875e+01
Coefficient B			2.42682e+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.			376.04
Temperature range, max.			594.12
η	0.0021682	Pa×s	376.04	Calculated Property
η	0.0014670	Pa×s	400.27	Calculated Property
η	0.0010378	Pa×s	424.50	Calculated Property
η	0.0007622	Pa×s	448.73	Calculated Property
η	0.0005777	Pa×s	472.96	Calculated Property
η	0.0004499	Pa×s	497.20	Calculated Property
η	0.0003586	Pa×s	521.43	Calculated Property
η	0.0002916	Pa×s	545.66	Calculated Property
η	0.0002414	Pa×s	569.89	Calculated Property
η	0.0002029	Pa×s	594.12	Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-2-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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