Mixture of 2-Pyrrolidinone, 1-methyl- + 2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride + Water

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2-Pyrrolidinone, 1-methyl-

Name
2-Pyrrolidinone, 1-methyl-
InChI
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChI Key
SECXISVLQFMRJM-UHFFFAOYSA-N
Formula
C5H9NO
SMILES
CN1CCCC1=O
Mol. Weight (g/mol)
99.13
CAS
872-50-4

2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride

Name
2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride
InChI
InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H
InChI Key
ITPDYQOUSLNIHG-UHFFFAOYSA-N
Formula
C25H30ClI2NO3
SMILES
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl
Mol. Weight (g/mol)
681.77
CAS
19774-82-4

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. Mole fraction (2)
  2. ρl - Mass density, kg/m3 (2)

Mole fraction of 2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (3) - Liquid Mole fraction of 2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride (2) - Liquid
293.20 0.0000 0.0089
293.20 0.1000 0.0060
293.20 0.2000 0.0045
293.20 0.3000 0.0028
293.20 0.4000 0.0020
293.20 0.5000 0.0014
293.20 0.6000 0.0008
293.20 0.7000 0.0004
293.20 0.8000 0.0002
293.20 0.9000 0.0000
293.20 1.0000 4.4000e-06
298.20 0.0000 0.0116
298.20 0.1000 0.0082
298.20 0.2000 0.0055
298.20 0.3000 0.0041
298.20 0.4000 0.0030
298.20 0.5000 0.0019
298.20 0.6000 0.0012
298.20 0.7000 0.0006
298.20 0.8000 0.0002
298.20 0.9000 0.0001
298.20 1.0000 6.2000e-06
303.20 0.0000 0.0132
303.20 0.1000 0.0103
303.20 0.2000 0.0072
303.20 0.3000 0.0053
303.20 0.4000 0.0036
303.20 0.5000 0.0026
303.20 0.6000 0.0016
303.20 0.7000 0.0008
303.20 0.8000 0.0003
303.20 0.9000 0.0001
303.20 1.0000 8.1000e-06
308.20 0.0000 0.0167
308.20 0.1000 0.0124
308.20 0.2000 0.0097
308.20 0.3000 0.0066
308.20 0.4000 0.0049
308.20 0.5000 0.0036
308.20 0.6000 0.0020
308.20 0.7000 0.0012
308.20 0.8000 0.0005
308.20 0.9000 0.0001
308.20 1.0000 9.3000e-06
313.20 0.0000 0.0189
313.20 0.1000 0.0142
313.20 0.2000 0.0115
313.20 0.3000 0.0082
313.20 0.4000 0.0057
313.20 0.5000 0.0043
313.20 0.6000 0.0026
313.20 0.7000 0.0015
313.20 0.8000 0.0008
313.20 0.9000 0.0002
313.20 1.0000 0.0000

Mole fraction of 2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (3) - Liquid Mole fraction of 2-Butyl-3-benzofuranyl 4-[(2-diethylamino)ethoxy] 3,5-diiodophenyl ketone, hydrochloride (2) - Liquid
293.20 0.0000 0.0089
293.20 0.1000 0.0060
293.20 0.2000 0.0045
293.20 0.3000 0.0028
293.20 0.4000 0.0020
293.20 0.5000 0.0014
293.20 0.6000 0.0008
293.20 0.7000 0.0004
293.20 0.8000 0.0002
293.20 0.9000 0.0000
293.20 1.0000 4.4000e-06
298.20 0.0000 0.0116
298.20 0.1000 0.0082
298.20 0.2000 0.0055
298.20 0.3000 0.0041
298.20 0.4000 0.0030
298.20 0.5000 0.0019
298.20 0.6000 0.0012
298.20 0.7000 0.0006
298.20 0.8000 0.0002
298.20 0.9000 0.0001
298.20 1.0000 6.2000e-06
303.20 0.0000 0.0132
303.20 0.1000 0.0103
303.20 0.2000 0.0072
303.20 0.3000 0.0053
303.20 0.4000 0.0036
303.20 0.5000 0.0026
303.20 0.6000 0.0016
303.20 0.7000 0.0008
303.20 0.8000 0.0003
303.20 0.9000 0.0001
303.20 1.0000 8.1000e-06
308.20 0.0000 0.0167
308.20 0.1000 0.0124
308.20 0.2000 0.0097
308.20 0.3000 0.0066
308.20 0.4000 0.0049
308.20 0.5000 0.0036
308.20 0.6000 0.0020
308.20 0.7000 0.0012
308.20 0.8000 0.0005
308.20 0.9000 0.0001
308.20 1.0000 9.3000e-06
313.20 0.0000 0.0189
313.20 0.1000 0.0142
313.20 0.2000 0.0115
313.20 0.3000 0.0082
313.20 0.4000 0.0057
313.20 0.5000 0.0043
313.20 0.6000 0.0026
313.20 0.7000 0.0015
313.20 0.8000 0.0008
313.20 0.9000 0.0002
313.20 1.0000 0.0000

Mass density, kg/m3 [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (3) - Liquid Mass density, kg/m3 - Liquid
293.20 0.0000 1088.0
293.20 0.1000 1102.0
293.20 0.2000 1104.0
293.20 0.3000 1098.0
293.20 0.4000 1092.0
293.20 0.5000 1082.0
293.20 0.6000 1072.0
293.20 0.7000 1062.0
293.20 0.8000 1052.0
293.20 0.9000 1044.0
293.20 1.0000 1038.0
298.20 0.0000 1088.0
298.20 0.1000 1098.0
298.20 0.2000 1100.0
298.20 0.3000 1098.0
298.20 0.4000 1092.0
298.20 0.5000 1082.0
298.20 0.6000 1070.0
298.20 0.7000 1058.0
298.20 0.8000 1046.0
298.20 0.9000 1042.0
298.20 1.0000 1036.0
303.20 0.0000 1092.0
303.20 0.1000 1104.0
303.20 0.2000 1102.0
303.20 0.3000 1100.0
303.20 0.4000 1096.0
303.20 0.5000 1082.0
303.20 0.6000 1066.0
303.20 0.7000 1056.0
303.20 0.8000 1050.0
303.20 0.9000 1040.0
303.20 1.0000 1030.0
308.20 0.0000 1094.0
308.20 0.1000 1104.0
308.20 0.2000 1106.0
308.20 0.3000 1096.0
308.20 0.4000 1090.0
308.20 0.5000 1082.0
308.20 0.6000 1070.0
308.20 0.7000 1060.0
308.20 0.8000 1046.0
308.20 0.9000 1036.0
308.20 1.0000 1030.0
313.20 0.0000 1104.0
313.20 0.1000 1114.0
313.20 0.2000 1112.0
313.20 0.3000 1102.0
313.20 0.4000 1096.0
313.20 0.5000 1084.0
313.20 0.6000 1070.0
313.20 0.7000 1058.0
313.20 0.8000 1050.0
313.20 0.9000 1038.0
313.20 1.0000 1028.0

Mass density, kg/m3 [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (3) - Liquid Mass density, kg/m3 - Liquid
293.20 0.0000 1088.0
293.20 0.1000 1102.0
293.20 0.2000 1104.0
293.20 0.3000 1098.0
293.20 0.4000 1092.0
293.20 0.5000 1082.0
293.20 0.6000 1072.0
293.20 0.7000 1062.0
293.20 0.8000 1052.0
293.20 0.9000 1044.0
293.20 1.0000 1038.0
298.20 0.0000 1088.0
298.20 0.1000 1098.0
298.20 0.2000 1100.0
298.20 0.3000 1098.0
298.20 0.4000 1092.0
298.20 0.5000 1082.0
298.20 0.6000 1070.0
298.20 0.7000 1058.0
298.20 0.8000 1046.0
298.20 0.9000 1042.0
298.20 1.0000 1036.0
303.20 0.0000 1092.0
303.20 0.1000 1104.0
303.20 0.2000 1102.0
303.20 0.3000 1100.0
303.20 0.4000 1096.0
303.20 0.5000 1082.0
303.20 0.6000 1066.0
303.20 0.7000 1056.0
303.20 0.8000 1050.0
303.20 0.9000 1040.0
303.20 1.0000 1030.0
308.20 0.0000 1094.0
308.20 0.1000 1104.0
308.20 0.2000 1106.0
308.20 0.3000 1096.0
308.20 0.4000 1090.0
308.20 0.5000 1082.0
308.20 0.6000 1070.0
308.20 0.7000 1060.0
308.20 0.8000 1046.0
308.20 0.9000 1036.0
308.20 1.0000 1030.0
313.20 0.0000 1104.0
313.20 0.1000 1114.0
313.20 0.2000 1112.0
313.20 0.3000 1102.0
313.20 0.4000 1096.0
313.20 0.5000 1084.0
313.20 0.6000 1070.0
313.20 0.7000 1058.0
313.20 0.8000 1050.0
313.20 0.9000 1038.0
313.20 1.0000 1028.0

Sources