Chemical Properties of .BETA.-alanine, n-(3-methylbenzoyl)-, heptyl ester

.BETA.-alanine, n-(3-methylbenzoyl)-, heptyl ester

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InChI
InChI=1S/C18H27NO3/c1-3-4-5-6-7-13-22-17(20)11-12-19-18(21)16-10-8-9-15(2)14-16/h8-10,14H,3-7,11-13H2,1-2H3,(H,19,21)
InChI Key
XHGZIJDGLWATJK-UHFFFAOYSA-N
Formula
C18H27NO3
SMILES
CCCCCCCOC(=O)CCNC(=O)c1cccc(C)c1
Molecular Weight1
305.41
Sources

Physical Properties

Property Value Unit Source
Δf -69.99 kJ/mol Joback Calculated Property
Δfgas -493.70 kJ/mol Joback Calculated Property
Δfus 45.51 kJ/mol Joback Calculated Property
Δvap 80.94 kJ/mol Joback Calculated Property
logPoct/wat 3.629 Crippen Calculated Property
Pc 1589.81 kPa Joback Calculated Property
Tboil 823.23 K Joback Calculated Property
Tc 1025.77 K Joback Calculated Property
Tfus 506.31 K Joback Calculated Property
Vc 1.000 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 790.71 J/mol×K 823.23 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.BETA.-alanine, n-(3-methylbenzoyl)-, decyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, undecyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, octyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, isohexyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, butyl ester. .BETA.- alanine, n-(3-methylbenzoyl)-, ethyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, isobutyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, heptyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, heptyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, decyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, undecyl ester. «beta»-Alanine, N-(4-methylbezoyl)-, tetradecyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, dodecyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, nonyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, octyl ester.

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