Chemical Properties of «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, isohexyl ester

«beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, isohexyl ester

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InChI
InChI=1S/C17H22F3NO3/c1-12(2)5-4-10-24-15(22)8-9-21-16(23)13-6-3-7-14(11-13)17(18,19)20/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,21,23)
InChI Key
BTJASVJUORKKEC-UHFFFAOYSA-N
Formula
C17H22F3NO3
SMILES
CC(C)CCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
345.36
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Physical Properties

Property Value Unit Source
Δf -662.44 kJ/mol Joback Calculated Property
Δfgas -1075.42 kJ/mol Joback Calculated Property
Δfus 41.23 kJ/mol Joback Calculated Property
Δvap 74.58 kJ/mol Joback Calculated Property
log10WS -4.89 Crippen Calculated Property
logPoct/wat 3.805 Crippen Calculated Property
McVol 250.930 ml/mol McGowan Calculated Property
Pc 1574.70 kPa Joback Calculated Property
Inp 2174.00 NIST
Tboil 794.49 K Joback Calculated Property
Tc 990.05 K Joback Calculated Property
Tfus 484.23 K Joback Calculated Property
Vc 0.982 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [758.21; 828.65] J/mol×K [794.49; 990.05] Show Hide
Cp,gas 758.21 J/mol×K 794.49 Joback Calculated Property
Cp,gas 772.19 J/mol×K 827.08 Joback Calculated Property
Cp,gas 785.21 J/mol×K 859.68 Joback Calculated Property
Cp,gas 797.32 J/mol×K 892.27 Joback Calculated Property
Cp,gas 808.57 J/mol×K 924.86 Joback Calculated Property
Cp,gas 819.00 J/mol×K 957.45 Joback Calculated Property
Cp,gas 828.65 J/mol×K 990.05 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, decyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, octyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, heptyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, butyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(2-methylbenzoyl)-, isohexyl ester.

Find more compounds similar to «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, isohexyl ester.

Sources

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