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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1145.76; 1219.35]	J/mol×K	[959.75; 1176.85]
Cp,gas	1145.76	J/mol×K	959.75	Joback Calculated Property
Cp,gas	1161.07	J/mol×K	995.93	Joback Calculated Property
Cp,gas	1175.05	J/mol×K	1032.12	Joback Calculated Property
Cp,gas	1187.80	J/mol×K	1068.30	Joback Calculated Property
Cp,gas	1199.38	J/mol×K	1104.48	Joback Calculated Property
Cp,gas	1209.87	J/mol×K	1140.67	Joback Calculated Property
Cp,gas	1219.35	J/mol×K	1176.85	Joback Calculated Property
η	[0.0000134; 0.0002806]	Pa×s	[546.06; 959.75]
η	0.0002806	Pa×s	546.06	Joback Calculated Property
η	0.0001271	Pa×s	615.01	Joback Calculated Property
η	0.0000675	Pa×s	683.96	Joback Calculated Property
η	0.0000403	Pa×s	752.90	Joback Calculated Property
η	0.0000262	Pa×s	821.85	Joback Calculated Property
η	0.0000182	Pa×s	890.80	Joback Calculated Property
η	0.0000134	Pa×s	959.75	Joback 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

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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