Chemical Properties of Succinic acid, 2-ethylhexyl 4-bromophenyl ester

InChI

InChI=1S/C18H25BrO4/c1-3-5-6-14(4-2)13-22-17(20)11-12-18(21)23-16-9-7-15(19)8-10-16/h7-10,14H,3-6,11-13H2,1-2H3

InChI Key

LIEVOWQISGNIGJ-UHFFFAOYSA-N

Formula

C18H25BrO4

SMILES

CCCCC(CC)COC(=O)CCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

385.29

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.53	kJ/mol	Joback Calculated Property
log10WS	-5.80		Relay (1.0) Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	273.100	ml/mol	McGowan Calculated Property
Pc	1546.35	kPa	Joback Calculated Property
Inp	[2508.00; 2508.00]
Inp	2508.00		NIST
Inp	2508.00		NIST
Tboil	651.25	K	Relay (1.0) Calculated Property
Tfus	276.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[378.97; 852.23]	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			2.42470e+01
Coefficient B			1.50994e+00
Coefficient C			-8.04960e-04
Coefficient D			1.23000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.97	J/mol×K	273.00	Calculated Property
Cp,gas	463.13	J/mol×K	353.78	Calculated Property
Cp,gas	538.49	J/mol×K	434.56	Calculated Property
Cp,gas	605.43	J/mol×K	515.33	Calculated Property
Cp,gas	664.35	J/mol×K	596.11	Calculated Property
Cp,gas	715.64	J/mol×K	676.89	Calculated Property
Cp,gas	759.68	J/mol×K	757.67	Calculated Property
Cp,gas	796.87	J/mol×K	838.44	Calculated Property
Cp,gas	827.59	J/mol×K	919.22	Calculated Property
Cp,gas	852.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007892; 0.0000695]	Pa×s	[461.02; 723.31]	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			-1.38460e+01
Coefficient B			3.08952e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			461.02
Temperature range, max.			723.31
η	0.0007892	Pa×s	461.02	Calculated Property
η	0.0005298	Pa×s	490.16	Calculated Property
η	0.0003720	Pa×s	519.31	Calculated Property
η	0.0002712	Pa×s	548.45	Calculated Property
η	0.0002041	Pa×s	577.59	Calculated Property
η	0.0001578	Pa×s	606.74	Calculated Property
η	0.0001250	Pa×s	635.88	Calculated Property
η	0.0001010	Pa×s	665.02	Calculated Property
η	0.0000831	Pa×s	694.17	Calculated Property
η	0.0000695	Pa×s	723.31	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl 4-bromophenyl ester.

Sources

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

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