Chemical Properties of Benzamide, 3-bromo-N-butyl-N-2-ethylhexyl-

InChI

InChI=1S/C19H30BrNO/c1-4-7-10-16(6-3)15-21(13-8-5-2)19(22)17-11-9-12-18(20)14-17/h9,11-12,14,16H,4-8,10,13,15H2,1-3H3

InChI Key

HASZMZNMWDDDAS-UHFFFAOYSA-N

Formula

C19H30BrNO

SMILES

CCCCC(CC)CN(CCCC)C(=O)c1cccc(Br)c1

Molecular Weight¹

368.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.00	kJ/mol	Joback Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
logPoct/wat	5.908		Crippen Calculated Property
McVol	283.860	ml/mol	McGowan Calculated Property
Inp	[2933.00; 2933.00]
Inp	2933.00		NIST
Inp	2933.00		NIST
Tfus	260.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[827.41; 915.39]	J/mol×K	[798.01; 1002.08]
Cp,gas	827.41	J/mol×K	798.01	Joback Calculated Property
Cp,gas	844.46	J/mol×K	832.02	Joback Calculated Property
Cp,gas	860.47	J/mol×K	866.03	Joback Calculated Property
Cp,gas	875.50	J/mol×K	900.04	Joback Calculated Property
Cp,gas	889.62	J/mol×K	934.05	Joback Calculated Property
Cp,gas	902.89	J/mol×K	968.06	Joback Calculated Property
Cp,gas	915.39	J/mol×K	1002.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-bromo-N-butyl-N-2-ethylhexyl-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.