Chemical Properties of .BETA.-alanine, n-(2-bromobenzoyl)-, heptyl ester

.BETA.-alanine, n-(2-bromobenzoyl)-, heptyl ester

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InChI
InChI=1S/C17H24BrNO3/c1-2-3-4-5-8-13-22-16(20)11-12-19-17(21)14-9-6-7-10-15(14)18/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,19,21)
InChI Key
LSDYNHDCMSGVST-UHFFFAOYSA-N
Formula
C17H24BrNO3
SMILES
CCCCCCCOC(=O)CCNC(=O)c1ccccc1Br
Molecular Weight1
370.28
Sources

Physical Properties

Property Value Unit Source
Δf -64.09 kJ/mol Joback Calculated Property
Δfgas -446.73 kJ/mol Joback Calculated Property
Δfus 48.21 kJ/mol Joback Calculated Property
Δvap 85.15 kJ/mol Joback Calculated Property
logPoct/wat 4.08 Crippen Calculated Property
Pc 1821.61 kPa Joback Calculated Property
Tboil 866.51 K Joback Calculated Property
Tc 1079.95 K Joback Calculated Property
Tfus 554.84 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 771.72 J/mol×K 866.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 8
>NH 1
-CH3 1
-Br 1

Similar Compounds

.BETA.-alanine, n-(2-bromobenzoyl)-, undecyl ester. .BETA.-alanine, n-(2-bromobenzoyl)-, nonyl ester. .BETA.-alanine, n-(2-bromobenzoyl)-, hexyl ester. .beta.-Alanine, N-(3-bromobenzoyl)-, heptyl ester. .BETA.-alanine, n-(3-bromobenzoyl)-, nonyl ester. .BETA.-alanine, n-(3-bromobenzoyl)-, octyl ester. .BETA.-alanine, n-(3-bromobenzoyl)-, hexyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, heptyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, nonyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, decyl ester. «beta»-Alanine, N-(4-methylbezoyl)-, tetradecyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, undecyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, dodecyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, octyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, hexyl ester.

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