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

InChI

InChI=1S/C18H25BrO5/c1-4-5-6-7-13(2)23-17(20)10-11-18(21)24-15-9-8-14(19)12-16(15)22-3/h8-9,12-13H,4-7,10-11H2,1-3H3

InChI Key

WSRGBGZZOIWFCW-UHFFFAOYSA-N

Formula

C18H25BrO5

SMILES

CCCCCC(C)OC(=O)CCC(=O)Oc1ccc(Br)cc1OC

Molecular Weight¹

401.29

• 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).
• 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°	47.33	kJ/mol	Joback Calculated Property
logPoct/wat	4.655		Crippen Calculated Property
McVol	278.970	ml/mol	McGowan Calculated Property
Inp	[2561.00; 2561.00]
Inp	2561.00		NIST
Inp	2561.00		NIST
Tboil	642.19	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	[396.93; 867.69]	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			6.40460e+01
Coefficient B			1.38726e+00
Coefficient C			-6.26920e-04
Coefficient D			4.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.93	J/mol×K	273.00	Calculated Property
Cp,gas	478.28	J/mol×K	353.78	Calculated Property
Cp,gas	552.05	J/mol×K	434.56	Calculated Property
Cp,gas	618.38	J/mol×K	515.33	Calculated Property
Cp,gas	677.40	J/mol×K	596.11	Calculated Property
Cp,gas	729.25	J/mol×K	676.89	Calculated Property
Cp,gas	774.07	J/mol×K	757.67	Calculated Property
Cp,gas	811.99	J/mol×K	838.44	Calculated Property
Cp,gas	843.15	J/mol×K	919.22	Calculated Property
Cp,gas	867.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004427; 0.0000530]	Pa×s	[495.77; 743.10]	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			-1.40973e+01
Coefficient B			3.16035e+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.			495.77
Temperature range, max.			743.10
η	0.0004427	Pa×s	495.77	Calculated Property
η	0.0003167	Pa×s	523.25	Calculated Property
η	0.0002343	Pa×s	550.73	Calculated Property
η	0.0001784	Pa×s	578.21	Calculated Property
η	0.0001392	Pa×s	605.69	Calculated Property
η	0.0001110	Pa×s	633.17	Calculated Property
η	0.0000902	Pa×s	660.65	Calculated Property
η	0.0000745	Pa×s	688.13	Calculated Property
η	0.0000625	Pa×s	715.61	Calculated Property
η	0.0000530	Pa×s	743.10	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl 4-bromo-2-methoxyphenyl 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

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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