Chemical Properties of Succinic acid, 3-methylbut-2-yl 4-bromophenyl ester

InChI

InChI=1S/C15H19BrO4/c1-10(2)11(3)19-14(17)8-9-15(18)20-13-6-4-12(16)5-7-13/h4-7,10-11H,8-9H2,1-3H3

InChI Key

KODHGOVNMGFQSV-UHFFFAOYSA-N

Formula

C15H19BrO4

SMILES

CC(C)C(C)OC(=O)CCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

343.21

• 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

Property	Value	Unit	Source
ΔfusH°	35.23	kJ/mol	Joback Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
logPoct/wat	3.722		Crippen Calculated Property
McVol	230.830	ml/mol	McGowan Calculated Property
Inp	[2167.00; 2167.00]
Inp	2167.00		NIST
Inp	2167.00		NIST
Tboil	615.63	K	Relay (1.0) Calculated Property

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	[315.01; 697.99]	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			2.52920e+01
Coefficient B			1.23086e+00
Coefficient C			-6.44960e-04
Coefficient D			8.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.01	J/mol×K	273.00	Calculated Property
Cp,gas	383.86	J/mol×K	353.78	Calculated Property
Cp,gas	445.50	J/mol×K	434.56	Calculated Property
Cp,gas	500.19	J/mol×K	515.33	Calculated Property
Cp,gas	548.22	J/mol×K	596.11	Calculated Property
Cp,gas	589.86	J/mol×K	676.89	Calculated Property
Cp,gas	625.38	J/mol×K	757.67	Calculated Property
Cp,gas	655.06	J/mol×K	838.44	Calculated Property
Cp,gas	679.17	J/mol×K	919.22	Calculated Property
Cp,gas	697.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013642; 0.0000895]	Pa×s	[412.21; 680.96]	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			-1.34986e+01
Coefficient B			2.84486e+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.			412.21
Temperature range, max.			680.96
η	0.0013642	Pa×s	412.21	Calculated Property
η	0.0008559	Pa×s	442.07	Calculated Property
η	0.0005696	Pa×s	471.93	Calculated Property
η	0.0003979	Pa×s	501.79	Calculated Property
η	0.0002894	Pa×s	531.65	Calculated Property
η	0.0002177	Pa×s	561.51	Calculated Property
η	0.0001686	Pa×s	591.38	Calculated Property
η	0.0001338	Pa×s	621.24	Calculated Property
η	0.0001084	Pa×s	651.10	Calculated Property
η	0.0000895	Pa×s	680.96	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-bromophenyl 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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