Chemical Properties of Succinic acid, 2-ethylhexyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C19H27BrO5/c1-4-6-7-14(5-2)13-24-18(21)10-11-19(22)25-16-9-8-15(20)12-17(16)23-3/h8-9,12,14H,4-7,10-11,13H2,1-3H3

InChI Key

QATCBXHWCVEQAA-UHFFFAOYSA-N

Formula

C19H27BrO5

SMILES

CCCCC(CC)COC(=O)CCC(=O)Oc1ccc(Br)cc1OC

Molecular Weight¹

415.32

• 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°	49.92	kJ/mol	Joback Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	4.903		Crippen Calculated Property
McVol	293.060	ml/mol	McGowan Calculated Property
Pc	1401.69	kPa	Joback Calculated Property
Inp	[2694.00; 2694.00]
Inp	2694.00		NIST
Inp	2694.00		NIST
Tboil	660.26	K	Relay (1.0) Calculated Property
Tfus	288.81	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	[418.14; 919.28]	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			6.31370e+01
Coefficient B			1.48226e+00
Coefficient C			-6.81320e-04
Coefficient D			5.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.14	J/mol×K	273.00	Calculated Property
Cp,gas	504.70	J/mol×K	353.78	Calculated Property
Cp,gas	583.13	J/mol×K	434.56	Calculated Property
Cp,gas	653.61	J/mol×K	515.33	Calculated Property
Cp,gas	716.32	J/mol×K	596.11	Calculated Property
Cp,gas	771.42	J/mol×K	676.89	Calculated Property
Cp,gas	819.09	J/mol×K	757.67	Calculated Property
Cp,gas	859.50	J/mol×K	838.44	Calculated Property
Cp,gas	892.84	J/mol×K	919.22	Calculated Property
Cp,gas	919.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003924; 0.0000465]	Pa×s	[507.04; 759.21]	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			-1.42619e+01
Coefficient B			3.25451e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			507.04
Temperature range, max.			759.21
η	0.0003924	Pa×s	507.04	Calculated Property
η	0.0002804	Pa×s	535.06	Calculated Property
η	0.0002071	Pa×s	563.08	Calculated Property
η	0.0001575	Pa×s	591.10	Calculated Property
η	0.0001228	Pa×s	619.11	Calculated Property
η	0.0000978	Pa×s	647.13	Calculated Property
η	0.0000794	Pa×s	675.15	Calculated Property
η	0.0000655	Pa×s	703.17	Calculated Property
η	0.0000548	Pa×s	731.19	Calculated Property
η	0.0000465	Pa×s	759.21	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl 4-bromo-2-methoxyphenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.