Chemical Properties of Diethylmalonic acid, 3-bromobenzyl nonyl ester

InChI

InChI=1S/C23H35BrO4/c1-4-7-8-9-10-11-12-16-27-21(25)23(5-2,6-3)22(26)28-18-19-14-13-15-20(24)17-19/h13-15,17H,4-12,16,18H2,1-3H3

InChI Key

SLMPIBBEDMOBRA-UHFFFAOYSA-N

Formula

C23H35BrO4

SMILES

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

Molecular Weight¹

455.43

• 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°	55.59	kJ/mol	Joback Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	6.593		Crippen Calculated Property
McVol	343.550	ml/mol	McGowan Calculated Property
Pc	1102.28	kPa	Joback Calculated Property
Inp	[2737.00; 2737.00]
Inp	2737.00		NIST
Inp	2737.00		NIST
Tboil	669.41	K	Relay (1.0) Calculated Property
Tfus	291.52	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	[1085.24; 1158.22]	J/mol×K	[936.87; 1151.21]
Cp,gas	1085.24	J/mol×K	936.87	Joback Calculated Property
Cp,gas	1100.37	J/mol×K	972.59	Joback Calculated Property
Cp,gas	1114.23	J/mol×K	1008.32	Joback Calculated Property
Cp,gas	1126.87	J/mol×K	1044.04	Joback Calculated Property
Cp,gas	1138.37	J/mol×K	1079.76	Joback Calculated Property
Cp,gas	1148.79	J/mol×K	1115.49	Joback Calculated Property
Cp,gas	1158.22	J/mol×K	1151.21	Joback Calculated Property
η	[0.0000158; 0.0003232]	Pa×s	[534.79; 936.87]
η	0.0003232	Pa×s	534.79	Joback Calculated Property
η	0.0001476	Pa×s	601.80	Joback Calculated Property
η	0.0000789	Pa×s	668.82	Joback Calculated Property
η	0.0000473	Pa×s	735.83	Joback Calculated Property
η	0.0000308	Pa×s	802.84	Joback Calculated Property
η	0.0000215	Pa×s	869.86	Joback Calculated Property
η	0.0000158	Pa×s	936.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-bromobenzyl nonyl 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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