Chemical Properties of Diethylmalonic acid, 3-bromobenzyl decyl ester

InChI

InChI=1S/C24H37BrO4/c1-4-7-8-9-10-11-12-13-17-28-22(26)24(5-2,6-3)23(27)29-19-20-15-14-16-21(25)18-20/h14-16,18H,4-13,17,19H2,1-3H3

InChI Key

AXRKPBAYFQYRAT-UHFFFAOYSA-N

Formula

C24H37BrO4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Br)c1

Molecular Weight¹

469.45

• 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°	58.18	kJ/mol	Joback Calculated Property
log10WS	-6.98		Relay (1.0) Calculated Property
logPoct/wat	6.983		Crippen Calculated Property
McVol	357.640	ml/mol	McGowan Calculated Property
Pc	1035.23	kPa	Joback Calculated Property
Inp	[2839.00; 2839.00]
Inp	2839.00		NIST
Inp	2839.00		NIST
Tboil	676.32	K	Relay (1.0) Calculated Property
Tfus	292.72	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	[505.11; 1162.70]	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			-3.99800e+00
Coefficient B			2.19986e+00
Coefficient C			-1.29996e-03
Coefficient D			2.66800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	505.11	J/mol×K	273.00	Calculated Property
Cp,gas	623.38	J/mol×K	353.78	Calculated Property
Cp,gas	728.37	J/mol×K	434.56	Calculated Property
Cp,gas	820.95	J/mol×K	515.33	Calculated Property
Cp,gas	901.94	J/mol×K	596.11	Calculated Property
Cp,gas	972.19	J/mol×K	676.89	Calculated Property
Cp,gas	1032.55	J/mol×K	757.67	Calculated Property
Cp,gas	1083.86	J/mol×K	838.44	Calculated Property
Cp,gas	1126.96	J/mol×K	919.22	Calculated Property
Cp,gas	1162.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002806; 0.0000259]	Pa×s	[546.06; 823.79]	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			-1.52424e+01
Coefficient B			3.85720e+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.			546.06
Temperature range, max.			823.79
η	0.0002806	Pa×s	546.06	Calculated Property
η	0.0001923	Pa×s	576.92	Calculated Property
η	0.0001369	Pa×s	607.78	Calculated Property
η	0.0001008	Pa×s	638.64	Calculated Property
η	0.0000763	Pa×s	669.50	Calculated Property
η	0.0000592	Pa×s	700.36	Calculated Property
η	0.0000469	Pa×s	731.22	Calculated Property
η	0.0000379	Pa×s	762.08	Calculated Property
η	0.0000311	Pa×s	792.94	Calculated Property
η	0.0000259	Pa×s	823.79	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-bromobenzyl decyl ester.

Sources

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

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