Chemical Properties of Diethylmalonic acid, 4-bromo-2-methoxyphenyl decyl ester

InChI

InChI=1S/C24H37BrO5/c1-5-8-9-10-11-12-13-14-17-29-22(26)24(6-2,7-3)23(27)30-20-16-15-19(25)18-21(20)28-4/h15-16,18H,5-14,17H2,1-4H3

InChI Key

UALFWWVKQMBOCH-UHFFFAOYSA-N

Formula

C24H37BrO5

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Br)cc1OC

Molecular Weight¹

485.45

• 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).
• 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°	58.98	kJ/mol	Joback Calculated Property
logPoct/wat	6.853		Crippen Calculated Property
McVol	363.510	ml/mol	McGowan Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST
Tboil	683.70	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	[523.06; 1178.16]	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			3.58010e+01
Coefficient B			2.07718e+00
Coefficient C			-1.12192e-03
Coefficient D			1.87100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	523.06	J/mol×K	273.00	Calculated Property
Cp,gas	638.53	J/mol×K	353.78	Calculated Property
Cp,gas	741.94	J/mol×K	434.56	Calculated Property
Cp,gas	833.90	J/mol×K	515.33	Calculated Property
Cp,gas	914.99	J/mol×K	596.11	Calculated Property
Cp,gas	985.81	J/mol×K	676.89	Calculated Property
Cp,gas	1046.94	J/mol×K	757.67	Calculated Property
Cp,gas	1098.98	J/mol×K	838.44	Calculated Property
Cp,gas	1142.53	J/mol×K	919.22	Calculated Property
Cp,gas	1178.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001604; 0.0000192]	Pa×s	[580.81; 846.31]	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			-1.55009e+01
Coefficient B			3.92803e+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.			580.81
Temperature range, max.			846.31
η	0.0001604	Pa×s	580.81	Calculated Property
η	0.0001157	Pa×s	610.31	Calculated Property
η	0.0000860	Pa×s	639.81	Calculated Property
η	0.0000656	Pa×s	669.31	Calculated Property
η	0.0000512	Pa×s	698.81	Calculated Property
η	0.0000408	Pa×s	728.31	Calculated Property
η	0.0000330	Pa×s	757.81	Calculated Property
η	0.0000272	Pa×s	787.31	Calculated Property
η	0.0000227	Pa×s	816.81	Calculated Property
η	0.0000192	Pa×s	846.31	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl decyl 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

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