Mixture of 5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide + cyclohexapentylose + Water

5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide

Name
5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide
InChI
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChI Key
VHOGYURTWQBHIL-UHFFFAOYSA-N
Formula
C12H9F3N2O2
SMILES
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
Mol. Weight (g/mol)
270.21

cyclohexapentylose

Name
cyclohexapentylose
InChI
InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25-,26-,27-,28-,29-,30?,31-,32?,33-,34-,35-,36-/m0/s1
InChI Key
HFHDHCJBZVLPGP-OQDZSFIYSA-N
Formula
C36H60O30
SMILES
OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC1C(O)C2O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
Mol. Weight (g/mol)
972.84
CAS
10016-20-3

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5
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Datasets

  1. Molality, mol/kg (2)

Molality, mol/kg of 5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide (1) [ref]

Fixed Measured
Solvent: Mass fraction of cyclohexapentylose (2) - Liquid Pressure, kPa - Liquid Temperature, K - Liquid Molality, mol/kg of 5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide (1) - Liquid
0.0050 100.00 298.15 0.0002

Molality, mol/kg of 5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide (1) [ref]

Fixed Measured
Solvent: Mass fraction of cyclohexapentylose (2) - Liquid Pressure, kPa - Liquid Temperature, K - Liquid Molality, mol/kg of 5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide (1) - Liquid
0.0050 100.00 298.15 0.0002

Sources

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