Chemical Properties of «beta»-Alanine, N-(4-methylbenzoyl)-, isohexyl ester

«beta»-Alanine, N-(4-methylbenzoyl)-, isohexyl ester

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InChI
InChI=1S/C17H25NO3/c1-13(2)5-4-12-21-16(19)10-11-18-17(20)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,20)
InChI Key
CXBGSDNBTXQHPE-UHFFFAOYSA-N
Formula
C17H25NO3
SMILES
Cc1ccc(C(=O)NCCC(=O)OCCCC(C)C)cc1
Molecular Weight1
291.39
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Physical Properties

Property Value Unit Source
Δf -80.85 kJ/mol Joback Calculated Property
Δfgas -478.34 kJ/mol Joback Calculated Property
Δfus 39.40 kJ/mol Joback Calculated Property
Δvap 78.32 kJ/mol Joback Calculated Property
log10WS -4.26 Crippen Calculated Property
logPoct/wat 3.094 Crippen Calculated Property
McVol 245.620 ml/mol McGowan Calculated Property
Pc 1730.34 kPa Joback Calculated Property
Inp [2396.00; 2396.00]   Show Hide
Inp 2396.00 NIST
Inp 2396.00 NIST
Tboil 799.91 K Joback Calculated Property
Tc 1005.41 K Joback Calculated Property
Tfus 480.04 K Joback Calculated Property
Vc 0.939 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [733.88; 810.35] J/mol×K [799.91; 1005.41] Show Hide
Cp,gas 733.88 J/mol×K 799.91 Joback Calculated Property
Cp,gas 749.14 J/mol×K 834.16 Joback Calculated Property
Cp,gas 763.35 J/mol×K 868.41 Joback Calculated Property
Cp,gas 776.54 J/mol×K 902.66 Joback Calculated Property
Cp,gas 788.75 J/mol×K 936.91 Joback Calculated Property
Cp,gas 800.01 J/mol×K 971.16 Joback Calculated Property
Cp,gas 810.35 J/mol×K 1005.41 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(4-methylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, heptyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, octyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, decyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, undecyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, dodecyl ester. «beta»-Alanine, N-(4-methylbezoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, butyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, heptyl ester.

Find more compounds similar to «beta»-Alanine, N-(4-methylbenzoyl)-, isohexyl ester.

Sources

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