Mixture of 1-Butanol, 3-methyl- + (1S,2S)-(+)-1,2-Diaminocyclohexane + Water

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1-Butanol, 3-methyl-

Name
1-Butanol, 3-methyl-
InChI
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChI Key
PHTQWCKDNZKARW-UHFFFAOYSA-N
Formula
C5H12O
SMILES
CC(C)CCO
Mol. Weight (g/mol)
88.15
CAS
123-51-3

(1S,2S)-(+)-1,2-Diaminocyclohexane

Name
(1S,2S)-(+)-1,2-Diaminocyclohexane
InChI
InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
InChI Key
SSJXIUAHEKJCMH-PHDIDXHHSA-N
Formula
C6H14N2
SMILES
NC1CCCCC1N
Mol. Weight (g/mol)
114.19
CAS
21436-03-3

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. Temperature, K x Mass fraction (2)

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 100.41 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of (1S,2S)-(+)-1,2-Diaminocyclohexane (2) - Liquid mixture 2 Mass fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 2 Mass fraction of (1S,2S)-(+)-1,2-Diaminocyclohexane (2) - Liquid mixture 1 Mass fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 1
288.20 0.0000 0.0253 0.0000 0.9022
288.20 0.0192 0.0261 0.0374 0.8390
288.20 0.0411 0.0310 0.0720 0.7684
288.20 0.0595 0.0357 0.0926 0.7268
288.20 0.0708 0.0369 0.1064 0.6954
288.20 0.0867 0.0413 0.1240 0.6535
288.20 0.1023 0.0461 0.1353 0.6229
298.20 0.0000 0.0219 0.0000 0.9019
298.20 0.0132 0.0247 0.0282 0.8563
298.20 0.0221 0.0262 0.0436 0.8346
298.20 0.0334 0.0272 0.0615 0.7971
298.20 0.0512 0.0308 0.0876 0.7418
298.20 0.0626 0.0335 0.1047 0.7010
298.20 0.0785 0.0362 0.1282 0.6494
298.20 0.1069 0.0402 0.1589 0.5603
308.20 0.0000 0.0202 0.0000 0.8953
308.20 0.0104 0.0189 0.0306 0.8224
308.20 0.0285 0.0218 0.0669 0.7746
308.20 0.0423 0.0243 0.0880 0.7294
308.20 0.0582 0.0273 0.1093 0.6924
308.20 0.0855 0.0344 0.1391 0.6322
308.20 0.1172 0.0447 0.1693 0.5418
318.20 0.0000 0.0184 0.0000 0.8835
318.20 0.0137 0.0195 0.0422 0.8056
318.20 0.0325 0.0220 0.0804 0.7441
318.20 0.0435 0.0233 0.0954 0.7196
318.20 0.0562 0.0261 0.1209 0.6681
318.20 0.0800 0.0328 0.1553 0.5987
318.20 0.1178 0.0414 0.1759 0.5344

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 100.41 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of (1S,2S)-(+)-1,2-Diaminocyclohexane (2) - Liquid mixture 2 Mass fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 2 Mass fraction of (1S,2S)-(+)-1,2-Diaminocyclohexane (2) - Liquid mixture 1 Mass fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 1
288.20 0.0000 0.0253 0.0000 0.9022
288.20 0.0192 0.0261 0.0374 0.8390
288.20 0.0411 0.0310 0.0720 0.7684
288.20 0.0595 0.0357 0.0926 0.7268
288.20 0.0708 0.0369 0.1064 0.6954
288.20 0.0867 0.0413 0.1240 0.6535
288.20 0.1023 0.0461 0.1353 0.6229
298.20 0.0000 0.0219 0.0000 0.9019
298.20 0.0132 0.0247 0.0282 0.8563
298.20 0.0221 0.0262 0.0436 0.8346
298.20 0.0334 0.0272 0.0615 0.7971
298.20 0.0512 0.0308 0.0876 0.7418
298.20 0.0626 0.0335 0.1047 0.7010
298.20 0.0785 0.0362 0.1282 0.6494
298.20 0.1069 0.0402 0.1589 0.5603
308.20 0.0000 0.0202 0.0000 0.8953
308.20 0.0104 0.0189 0.0306 0.8224
308.20 0.0285 0.0218 0.0669 0.7746
308.20 0.0423 0.0243 0.0880 0.7294
308.20 0.0582 0.0273 0.1093 0.6924
308.20 0.0855 0.0344 0.1391 0.6322
308.20 0.1172 0.0447 0.1693 0.5418
318.20 0.0000 0.0184 0.0000 0.8835
318.20 0.0137 0.0195 0.0422 0.8056
318.20 0.0325 0.0220 0.0804 0.7441
318.20 0.0435 0.0233 0.0954 0.7196
318.20 0.0562 0.0261 0.1209 0.6681
318.20 0.0800 0.0328 0.1553 0.5987
318.20 0.1178 0.0414 0.1759 0.5344

Sources