Chemical Properties of Diethylmalonic acid, 3-bromobenzyl octadecyl ester

InChI

InChI=1S/C32H53BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-36-30(34)32(5-2,6-3)31(35)37-27-28-23-22-24-29(33)26-28/h22-24,26H,4-21,25,27H2,1-3H3

InChI Key

RNGARFMARSIFOE-UHFFFAOYSA-N

Formula

C32H53BrO4

SMILES

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

Molecular Weight¹

581.66

• 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°	78.90	kJ/mol	Joback Calculated Property
log10WS	-9.20		Relay (1.0) Calculated Property
logPoct/wat	10.103		Crippen Calculated Property
McVol	470.360	ml/mol	McGowan Calculated Property
Pc	665.63	kPa	Joback Calculated Property
Inp	[3483.00; 3483.00]
Inp	3483.00		NIST
Inp	3483.00		NIST
Tboil	730.05	K	Relay (1.0) Calculated Property
Tfus	304.85	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	[1645.43; 1729.97]	J/mol×K	[1142.79; 1422.28]
Cp,gas	1645.43	J/mol×K	1142.79	Joback Calculated Property
Cp,gas	1663.60	J/mol×K	1189.37	Joback Calculated Property
Cp,gas	1679.85	J/mol×K	1235.95	Joback Calculated Property
Cp,gas	1694.39	J/mol×K	1282.54	Joback Calculated Property
Cp,gas	1707.44	J/mol×K	1329.12	Joback Calculated Property
Cp,gas	1719.23	J/mol×K	1375.70	Joback Calculated Property
Cp,gas	1729.97	J/mol×K	1422.28	Joback Calculated Property
η	[0.0000034; 0.0000850]	Pa×s	[636.22; 1142.79]
η	0.0000850	Pa×s	636.22	Joback Calculated Property
η	0.0000363	Pa×s	720.65	Joback Calculated Property
η	0.0000186	Pa×s	805.08	Joback Calculated Property
η	0.0000108	Pa×s	889.50	Joback Calculated Property
η	0.0000069	Pa×s	973.93	Joback Calculated Property
η	0.0000047	Pa×s	1058.36	Joback Calculated Property
η	0.0000034	Pa×s	1142.79	Joback Calculated Property

Similar Compounds

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