Chemical Properties of 5-Bromovaleric acid, cyclobutyl ester

InChI

InChI=1S/C9H15BrO2/c10-7-2-1-6-9(11)12-8-4-3-5-8/h8H,1-7H2

InChI Key

GWVUWXKSZDXMHL-UHFFFAOYSA-N

Formula

C9H15BrO2

SMILES

O=C(CCCCBr)OC1CCC1

Molecular Weight¹

235.12

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[198.40; 482.34]	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			-2.70560e+01
Coefficient B			9.83500e-01
Coefficient C			-6.16400e-04
Coefficient D			1.42300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.40	J/mol×K	273.00	Calculated Property
Cp,gas	250.04	J/mol×K	353.78	Calculated Property
Cp,gas	295.61	J/mol×K	434.56	Calculated Property
Cp,gas	335.55	J/mol×K	515.33	Calculated Property
Cp,gas	370.33	J/mol×K	596.11	Calculated Property
Cp,gas	400.38	J/mol×K	676.89	Calculated Property
Cp,gas	426.15	J/mol×K	757.67	Calculated Property
Cp,gas	448.11	J/mol×K	838.44	Calculated Property
Cp,gas	466.69	J/mol×K	919.22	Calculated Property
Cp,gas	482.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033012; 0.0004281]	Pa×s	[307.74; 522.39]	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			-1.06849e+01
Coefficient B			1.52991e+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.			307.74
Temperature range, max.			522.39
η	0.0033012	Pa×s	307.74	Calculated Property
η	0.0023088	Pa×s	331.59	Calculated Property
η	0.0016941	Pa×s	355.44	Calculated Property
η	0.0012924	Pa×s	379.29	Calculated Property
η	0.0010180	Pa×s	403.14	Calculated Property
η	0.0008235	Pa×s	426.99	Calculated Property
η	0.0006813	Pa×s	450.84	Calculated Property
η	0.0005745	Pa×s	474.69	Calculated Property
η	0.0004924	Pa×s	498.54	Calculated Property
η	0.0004281	Pa×s	522.39	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, cyclobutyl ester.

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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