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

InChI

InChI=1S/C7H11BrO2/c1-3-4-6(2)10-7(9)5-8/h3,6H,1,4-5H2,2H3

InChI Key

CJFYOQXFISOMFE-UHFFFAOYSA-N

Formula

C7H11BrO2

SMILES

C=CCC(C)OC(=O)CBr

Molecular Weight¹

207.07

• 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_p : 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	[174.18; 369.67]	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			2.54520e+01
Coefficient B			6.38120e-01
Coefficient C			-3.59900e-04
Coefficient D			6.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.18	J/mol×K	273.00	Calculated Property
Cp,gas	209.08	J/mol×K	353.78	Calculated Property
Cp,gas	240.20	J/mol×K	434.56	Calculated Property
Cp,gas	267.75	J/mol×K	515.33	Calculated Property
Cp,gas	291.93	J/mol×K	596.11	Calculated Property
Cp,gas	312.96	J/mol×K	676.89	Calculated Property
Cp,gas	331.04	J/mol×K	757.67	Calculated Property
Cp,gas	346.38	J/mol×K	838.44	Calculated Property
Cp,gas	359.18	J/mol×K	919.22	Calculated Property
Cp,gas	369.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054105; 0.0002813]	Pa×s	[254.02; 474.40]	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			-1.15840e+01
Coefficient B			1.61672e+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.			254.02
Temperature range, max.			474.40
η	0.0054105	Pa×s	254.02	Calculated Property
η	0.0030918	Pa×s	278.51	Calculated Property
η	0.0019341	Pa×s	302.99	Calculated Property
η	0.0012978	Pa×s	327.48	Calculated Property
η	0.0009205	Pa×s	351.97	Calculated Property
η	0.0006828	Pa×s	376.45	Calculated Property
η	0.0005253	Pa×s	400.94	Calculated Property
η	0.0004165	Pa×s	425.42	Calculated Property
η	0.0003387	Pa×s	449.91	Calculated Property
η	0.0002813	Pa×s	474.40	Calculated Property

Similar Compounds

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

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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