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

InChI

InChI=1S/C14H17BrO4/c1-3-18-13(16)7-8-14(17)19-10(2)11-5-4-6-12(15)9-11/h4-6,9-10H,3,7-8H2,1-2H3

InChI Key

RLOCIIFOBSLSSE-UHFFFAOYSA-N

Formula

C14H17BrO4

SMILES

CCOC(=O)CCC(=O)OC(C)c1cccc(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).
• 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°	36.17	kJ/mol	Joback Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	3.397		Crippen Calculated Property
McVol	216.740	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[2034.00; 2034.00]
Inp	2034.00		NIST
Inp	2034.00		NIST
Tboil	590.45	K	Relay (1.0) Calculated Property
Tc	805.54	K	Relay (1.0) Calculated Property
Tfus	279.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[294.12; 645.86]	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			2.78830e+01
Coefficient B			1.12994e+00
Coefficient C			-5.87360e-04
Coefficient D			7.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.12	J/mol×K	273.00	Calculated Property
Cp,gas	357.46	J/mol×K	353.78	Calculated Property
Cp,gas	414.18	J/mol×K	434.56	Calculated Property
Cp,gas	464.51	J/mol×K	515.33	Calculated Property
Cp,gas	508.71	J/mol×K	596.11	Calculated Property
Cp,gas	547.00	J/mol×K	676.89	Calculated Property
Cp,gas	579.62	J/mol×K	757.67	Calculated Property
Cp,gas	606.81	J/mol×K	838.44	Calculated Property
Cp,gas	628.81	J/mol×K	919.22	Calculated Property
Cp,gas	645.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012494; 0.0001087]	Pa×s	[415.94; 664.81]	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			-1.32074e+01
Coefficient B			2.71288e+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.			415.94
Temperature range, max.			664.81
η	0.0012494	Pa×s	415.94	Calculated Property
η	0.0008320	Pa×s	443.59	Calculated Property
η	0.0005811	Pa×s	471.24	Calculated Property
η	0.0004224	Pa×s	498.90	Calculated Property
η	0.0003175	Pa×s	526.55	Calculated Property
η	0.0002455	Pa×s	554.20	Calculated Property
η	0.0001945	Pa×s	581.85	Calculated Property
η	0.0001574	Pa×s	609.50	Calculated Property
η	0.0001298	Pa×s	637.16	Calculated Property
η	0.0001087	Pa×s	664.81	Calculated Property

Similar Compounds

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

Sources

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

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