Chemical Properties of Dimethyl 5-bromoisophthalate

InChI

InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3

InChI Key

QUJINGKSNJNXEB-UHFFFAOYSA-N

Formula

C10H9BrO4

SMILES

COC(=O)c1cc(Br)cc(C(=O)OC)c1

Molecular Weight¹

273.08

• ω : Acentric Factor.
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.13; 435.92]	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			4.75000e+01
Coefficient B			6.84540e-01
Coefficient C			-2.99520e-04
Coefficient D			3.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.13	J/mol×K	273.00	Calculated Property
Cp,gas	252.34	J/mol×K	353.78	Calculated Property
Cp,gas	288.69	J/mol×K	434.56	Calculated Property
Cp,gas	321.19	J/mol×K	515.33	Calculated Property
Cp,gas	349.85	J/mol×K	596.11	Calculated Property
Cp,gas	374.68	J/mol×K	676.89	Calculated Property
Cp,gas	395.69	J/mol×K	757.67	Calculated Property
Cp,gas	412.89	J/mol×K	838.44	Calculated Property
Cp,gas	426.30	J/mol×K	919.22	Calculated Property
Cp,gas	435.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011952; 0.0001661]	Pa×s	[398.38; 612.71]	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			-1.23702e+01
Coefficient B			2.24716e+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.			398.38
Temperature range, max.			612.71
η	0.0011952	Pa×s	398.38	Calculated Property
η	0.0008694	Pa×s	422.19	Calculated Property
η	0.0006544	Pa×s	446.01	Calculated Property
η	0.0005069	Pa×s	469.82	Calculated Property
η	0.0004024	Pa×s	493.64	Calculated Property
η	0.0003264	Pa×s	517.45	Calculated Property
η	0.0002696	Pa×s	541.26	Calculated Property
η	0.0002263	Pa×s	565.08	Calculated Property
η	0.0001927	Pa×s	588.89	Calculated Property
η	0.0001661	Pa×s	612.71	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 5-bromoisophthalate.

Sources

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

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