Chemical Properties of Diethylmalonic acid, 4-bromobenzyl propyl ester

InChI

InChI=1S/C17H23BrO4/c1-4-11-21-15(19)17(5-2,6-3)16(20)22-12-13-7-9-14(18)10-8-13/h7-10H,4-6,11-12H2,1-3H3

InChI Key

JONCTODFYOLPHL-UHFFFAOYSA-N

Formula

C17H23BrO4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Br)cc1

Molecular Weight¹

371.27

• 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°	40.05	kJ/mol	Joback Calculated Property
logPoct/wat	4.252		Crippen Calculated Property
McVol	259.010	ml/mol	McGowan Calculated Property
Inp	[2189.00; 2189.00]
Inp	2189.00		NIST
Inp	2189.00		NIST
Tboil	630.15	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.77; 804.95]	J/mol×K	[799.59; 1014.00]
Cp,gas	735.77	J/mol×K	799.59	Joback Calculated Property
Cp,gas	750.07	J/mol×K	835.33	Joback Calculated Property
Cp,gas	763.19	J/mol×K	871.06	Joback Calculated Property
Cp,gas	775.19	J/mol×K	906.80	Joback Calculated Property
Cp,gas	786.12	J/mol×K	942.53	Joback Calculated Property
Cp,gas	796.02	J/mol×K	978.27	Joback Calculated Property
Cp,gas	804.95	J/mol×K	1014.00	Joback Calculated Property
η	[0.0000417; 0.0007184]	Pa×s	[467.17; 799.59]
η	0.0007184	Pa×s	467.17	Joback Calculated Property
η	0.0003477	Pa×s	522.57	Joback Calculated Property
η	0.0001934	Pa×s	577.98	Joback Calculated Property
η	0.0001192	Pa×s	633.38	Joback Calculated Property
η	0.0000794	Pa×s	688.78	Joback Calculated Property
η	0.0000562	Pa×s	744.19	Joback Calculated Property
η	0.0000417	Pa×s	799.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-bromobenzyl propyl 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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