Chemical Properties of Succinic acid, 1-(3-bromophenyl)ethyl propyl ester

InChI

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

InChI Key

QNSMPPUTROLUKH-UHFFFAOYSA-N

Formula

C15H19BrO4

SMILES

CCCOC(=O)CCC(=O)OC(C)c1cccc(Br)c1

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).
• 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°	38.76	kJ/mol	Joback Calculated Property
logPoct/wat	3.787		Crippen Calculated Property
McVol	230.830	ml/mol	McGowan Calculated Property
Inp	[2136.00; 2136.00]
Inp	2136.00		NIST
Inp	2136.00		NIST
Tboil	599.97	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, 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	[315.33; 697.45]	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			2.69740e+01
Coefficient B			1.22494e+00
Coefficient C			-6.41760e-04
Coefficient D			8.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.33	J/mol×K	273.00	Calculated Property
Cp,gas	383.87	J/mol×K	353.78	Calculated Property
Cp,gas	445.25	J/mol×K	434.56	Calculated Property
Cp,gas	499.74	J/mol×K	515.33	Calculated Property
Cp,gas	547.62	J/mol×K	596.11	Calculated Property
Cp,gas	589.16	J/mol×K	676.89	Calculated Property
Cp,gas	624.63	J/mol×K	757.67	Calculated Property
Cp,gas	654.32	J/mol×K	838.44	Calculated Property
Cp,gas	678.51	J/mol×K	919.22	Calculated Property
Cp,gas	697.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011205; 0.0000981]	Pa×s	[427.21; 678.87]	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			-1.33646e+01
Coefficient B			2.80704e+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.			427.21
Temperature range, max.			678.87
η	0.0011205	Pa×s	427.21	Calculated Property
η	0.0007483	Pa×s	455.17	Calculated Property
η	0.0005237	Pa×s	483.13	Calculated Property
η	0.0003811	Pa×s	511.10	Calculated Property
η	0.0002866	Pa×s	539.06	Calculated Property
η	0.0002217	Pa×s	567.02	Calculated Property
η	0.0001757	Pa×s	594.98	Calculated Property
η	0.0001422	Pa×s	622.94	Calculated Property
η	0.0001171	Pa×s	650.91	Calculated Property
η	0.0000981	Pa×s	678.87	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(3-bromophenyl)ethyl propyl 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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