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

InChI

InChI=1S/C7H10Br2O2/c1-3-4-5(2)11-7(10)6(8)9/h3,5-6H,1,4H2,2H3

InChI Key

JQTBJKRYXSYYEA-UHFFFAOYSA-N

Formula

C7H10Br2O2

SMILES

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

Molecular Weight¹

285.96

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.50	kJ/mol	Joback Calculated Property
logPoct/wat	2.610		Crippen Calculated Property
McVol	147.630	ml/mol	McGowan Calculated Property
Inp	[1241.00; 1241.00]
Inp	1241.00		NIST
Inp	1241.00		NIST
I	[1784.00; 1784.00]
I	1784.00		NIST
I	1784.00		NIST
Tboil	490.43	K	Relay (1.0) Calculated Property

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	[187.85; 379.28]	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			3.19610e+01
Coefficient B			6.82220e-01
Coefficient C			-4.34500e-04
Coefficient D			9.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.85	J/mol×K	273.00	Calculated Property
Cp,gas	223.34	J/mol×K	353.78	Calculated Property
Cp,gas	254.55	J/mol×K	434.56	Calculated Property
Cp,gas	281.77	J/mol×K	515.33	Calculated Property
Cp,gas	305.34	J/mol×K	596.11	Calculated Property
Cp,gas	325.56	J/mol×K	676.89	Calculated Property
Cp,gas	342.75	J/mol×K	757.67	Calculated Property
Cp,gas	357.22	J/mol×K	838.44	Calculated Property
Cp,gas	369.29	J/mol×K	919.22	Calculated Property
Cp,gas	379.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044130; 0.0002531]	Pa×s	[298.82; 534.04]	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			-1.19131e+01
Coefficient B			1.93932e+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.			298.82
Temperature range, max.			534.04
η	0.0044130	Pa×s	298.82	Calculated Property
η	0.0026184	Pa×s	324.96	Calculated Property
η	0.0016792	Pa×s	351.09	Calculated Property
η	0.0011452	Pa×s	377.23	Calculated Property
η	0.0008208	Pa×s	403.36	Calculated Property
η	0.0006126	Pa×s	429.50	Calculated Property
η	0.0004728	Pa×s	455.63	Calculated Property
η	0.0003753	Pa×s	481.77	Calculated Property
η	0.0003051	Pa×s	507.90	Calculated Property
η	0.0002531	Pa×s	534.04	Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-2-ol, dibromoacetate.

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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