Chemical Properties of Diglycolic acid, 4-bromophenyl ethyl ester

InChI

InChI=1S/C12H13BrO5/c1-2-17-11(14)7-16-8-12(15)18-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3

InChI Key

ZHPIODIONHJSLY-UHFFFAOYSA-N

Formula

C12H13BrO5

SMILES

CCOC(=O)COCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

317.13

• 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).
• IE : Ionization energy (eV).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[267.41; 560.64]	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			5.68830e+01
Coefficient B			8.70820e-01
Coefficient C			-3.64360e-04
Coefficient D			-2.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.41	J/mol×K	273.00	Calculated Property
Cp,gas	319.24	J/mol×K	353.78	Calculated Property
Cp,gas	366.28	J/mol×K	434.56	Calculated Property
Cp,gas	408.51	J/mol×K	515.33	Calculated Property
Cp,gas	445.94	J/mol×K	596.11	Calculated Property
Cp,gas	478.55	J/mol×K	676.89	Calculated Property
Cp,gas	506.34	J/mol×K	757.67	Calculated Property
Cp,gas	529.28	J/mol×K	838.44	Calculated Property
Cp,gas	547.39	J/mol×K	919.22	Calculated Property
Cp,gas	560.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008757; 0.0001140]	Pa×s	[430.63; 649.06]	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			-1.30987e+01
Coefficient B			2.60883e+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.			430.63
Temperature range, max.			649.06
η	0.0008757	Pa×s	430.63	Calculated Property
η	0.0006338	Pa×s	454.90	Calculated Property
η	0.0004741	Pa×s	479.17	Calculated Property
η	0.0003646	Pa×s	503.44	Calculated Property
η	0.0002873	Pa×s	527.71	Calculated Property
η	0.0002312	Pa×s	551.98	Calculated Property
η	0.0001894	Pa×s	576.25	Calculated Property
η	0.0001578	Pa×s	600.52	Calculated Property
η	0.0001333	Pa×s	624.79	Calculated Property
η	0.0001140	Pa×s	649.06	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-bromophenyl ethyl 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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