Chemical Properties of (Z)-3-Hexen-1-ol, tribromoacetate

InChI

InChI=1S/C8H11Br3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h3-4H,2,5-6H2,1H3/b4-3-

InChI Key

XQAGGAGAPPBDDP-ARJAWSKDSA-N

Formula

C8H11Br3O2

SMILES

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

Molecular Weight¹

378.88

• 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).
• 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, 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	[218.03; 438.26]	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			6.94300e+00
Coefficient B			9.69420e-01
Coefficient C			-7.86600e-04
Coefficient D			2.48500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.03	J/mol×K	273.00	Calculated Property
Cp,gas	262.46	J/mol×K	353.78	Calculated Property
Cp,gas	300.06	J/mol×K	434.56	Calculated Property
Cp,gas	331.63	J/mol×K	515.33	Calculated Property
Cp,gas	357.95	J/mol×K	596.11	Calculated Property
Cp,gas	379.80	J/mol×K	676.89	Calculated Property
Cp,gas	397.97	J/mol×K	757.67	Calculated Property
Cp,gas	413.25	J/mol×K	838.44	Calculated Property
Cp,gas	426.42	J/mol×K	919.22	Calculated Property
Cp,gas	438.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014879; 0.0001642]	Pa×s	[398.99; 612.27]	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			-1.28378e+01
Coefficient B			2.52456e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			398.99
Temperature range, max.			612.27
η	0.0014879	Pa×s	398.99	Calculated Property
η	0.0010435	Pa×s	422.69	Calculated Property
η	0.0007600	Pa×s	446.39	Calculated Property
η	0.0005715	Pa×s	470.08	Calculated Property
η	0.0004416	Pa×s	493.78	Calculated Property
η	0.0003494	Pa×s	517.48	Calculated Property
η	0.0002822	Pa×s	541.18	Calculated Property
η	0.0002321	Pa×s	564.88	Calculated Property
η	0.0001938	Pa×s	588.57	Calculated Property
η	0.0001642	Pa×s	612.27	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-Hexen-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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