Chemical Properties of Diethylmalonic acid, 4-bromophenyl pentyl ester

InChI

InChI=1S/C18H25BrO4/c1-4-7-8-13-22-16(20)18(5-2,6-3)17(21)23-15-11-9-14(19)10-12-15/h9-12H,4-8,13H2,1-3H3

InChI Key

SFBRBTXSUMBONR-UHFFFAOYSA-N

Formula

C18H25BrO4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Br)cc1

Molecular Weight¹

385.29

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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 Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[377.83; 853.16]	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			1.45600e+00
Coefficient B			1.62986e+00
Coefficient C			-9.73560e-04
Coefficient D			1.95400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.83	J/mol×K	273.00	Calculated Property
Cp,gas	464.87	J/mol×K	353.78	Calculated Property
Cp,gas	541.91	J/mol×K	434.56	Calculated Property
Cp,gas	609.57	J/mol×K	515.33	Calculated Property
Cp,gas	668.47	J/mol×K	596.11	Calculated Property
Cp,gas	719.23	J/mol×K	676.89	Calculated Property
Cp,gas	762.45	J/mol×K	757.67	Calculated Property
Cp,gas	798.77	J/mol×K	838.44	Calculated Property
Cp,gas	828.80	J/mol×K	919.22	Calculated Property
Cp,gas	853.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006332; 0.0000611]	Pa×s	[478.44; 724.60]	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			-1.42460e+01
Coefficient B			3.29224e+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.			478.44
Temperature range, max.			724.60
η	0.0006332	Pa×s	478.44	Calculated Property
η	0.0004364	Pa×s	505.79	Calculated Property
η	0.0003125	Pa×s	533.14	Calculated Property
η	0.0002312	Pa×s	560.49	Calculated Property
η	0.0001759	Pa×s	587.85	Calculated Property
η	0.0001371	Pa×s	615.20	Calculated Property
η	0.0001092	Pa×s	642.55	Calculated Property
η	0.0000886	Pa×s	669.90	Calculated Property
η	0.0000731	Pa×s	697.25	Calculated Property
η	0.0000611	Pa×s	724.60	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-bromophenyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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