Chemical Properties of Succinic acid, 3-bromophenethyl ethyl ester

InChI

InChI=1S/C14H17BrO4/c1-2-18-13(16)6-7-14(17)19-9-8-11-4-3-5-12(15)10-11/h3-5,10H,2,6-9H2,1H3

InChI Key

QTPDLOVYHZVNDQ-UHFFFAOYSA-N

Formula

C14H17BrO4

SMILES

CCOC(=O)CCC(=O)OCCc1cccc(Br)c1

Molecular Weight¹

329.19

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.69	kJ/mol	Joback Calculated Property
ΔvapH°	95.48	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	2.878		Crippen Calculated Property
McVol	216.740	ml/mol	McGowan Calculated Property
Pc	2129.52	kPa	Joback Calculated Property
Inp	[2129.00; 2129.00]
Inp	2129.00		NIST
Inp	2129.00		NIST
Tboil	627.98	K	Relay (1.0) Calculated Property
Tc	812.99	K	Relay (1.0) Calculated Property
Tfus	273.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[294.43; 645.33]	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			2.95650e+01
Coefficient B			1.12402e+00
Coefficient C			-5.84160e-04
Coefficient D			7.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.43	J/mol×K	273.00	Calculated Property
Cp,gas	357.47	J/mol×K	353.78	Calculated Property
Cp,gas	413.93	J/mol×K	434.56	Calculated Property
Cp,gas	464.06	J/mol×K	515.33	Calculated Property
Cp,gas	508.10	J/mol×K	596.11	Calculated Property
Cp,gas	546.29	J/mol×K	676.89	Calculated Property
Cp,gas	578.87	J/mol×K	757.67	Calculated Property
Cp,gas	606.07	J/mol×K	838.44	Calculated Property
Cp,gas	628.14	J/mol×K	919.22	Calculated Property
Cp,gas	645.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010428; 0.0001190]	Pa×s	[430.94; 662.62]	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			-1.30734e+01
Coefficient B			2.67506e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			430.94
Temperature range, max.			662.62
η	0.0010428	Pa×s	430.94	Calculated Property
η	0.0007349	Pa×s	456.68	Calculated Property
η	0.0005376	Pa×s	482.42	Calculated Property
η	0.0004060	Pa×s	508.17	Calculated Property
η	0.0003150	Pa×s	533.91	Calculated Property
η	0.0002501	Pa×s	559.65	Calculated Property
η	0.0002027	Pa×s	585.39	Calculated Property
η	0.0001672	Pa×s	611.14	Calculated Property
η	0.0001401	Pa×s	636.88	Calculated Property
η	0.0001190	Pa×s	662.62	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-bromophenethyl ethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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