Mixture of 1-Butanol, 3-methyl- + Formic acid + Water

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

Name: Formic acid
InChI: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI Key: BDAGIHXWWSANSR-UHFFFAOYSA-N
Formula: CH2O2
SMILES: O=CO
Mol. Weight (g/mol): 46.03
CAS: 64-18-6

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

Mass fraction (6)

Mass fraction of Water (3) [ref]

Operational conditions:

Temperature, K = 291.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mass fraction of Formic acid (2) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1
0.0148	0.0823
0.0412	0.1036
0.0791	0.1171
0.1424	0.1307
0.1992	0.1498
0.2327	0.1659
0.2719	0.1877
0.2970	0.2086
0.3196	0.2305
0.3484	0.2611
0.4182	0.4650
0.4063	0.5138
0.3577	0.5937
0.3172	0.6381
0.2213	0.7400
0.0837	0.8838
0.9744	0.0108

Mass fraction [ref]

Operational conditions:

Temperature, K = 291.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Formic acid (2) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Formic acid (2) - Liquid mixture 2
0.0208	0.9428	0.0927	0.0281
0.0801	0.8863	0.1171	0.0791
0.1219	0.8454	0.1209	0.0981
0.1640	0.8031	0.1297	0.1378
0.2217	0.7399	0.1334	0.1501
0.2476	0.7093	0.1421	0.1766

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Formic acid (2) - Liquid mixture 2	Mole fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 2	Mole fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 1	Mole fraction of Formic acid (2) - Liquid mixture 1
0.0000	0.6401	0.0045	0.0000
0.0720	0.5436	0.0062	0.0339
0.0960	0.5064	0.0077	0.0713
0.1207	0.4756	0.0121	0.1317
0.1410	0.4318	0.0329	0.2140

Mass fraction of Water (3) [ref]

Operational conditions:

Temperature, K = 291.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mass fraction of Formic acid (2) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1
0.0148	0.0823
0.0412	0.1036
0.0791	0.1171
0.1424	0.1307
0.1992	0.1498
0.2327	0.1659
0.2719	0.1877
0.2970	0.2086
0.3196	0.2305
0.3484	0.2611
0.4182	0.4650
0.4063	0.5138
0.3577	0.5937
0.3172	0.6381
0.2213	0.7400
0.0837	0.8838
0.9744	0.0108

Mass fraction [ref]

Operational conditions:

Temperature, K = 291.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Formic acid (2) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Formic acid (2) - Liquid mixture 2
0.0208	0.9428	0.0927	0.0281
0.0801	0.8863	0.1171	0.0791
0.1219	0.8454	0.1209	0.0981
0.1640	0.8031	0.1297	0.1378
0.2217	0.7399	0.1334	0.1501
0.2476	0.7093	0.1421	0.1766

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Formic acid (2) - Liquid mixture 2	Mole fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 2	Mole fraction of 1-Butanol, 3-methyl- (1) - Liquid mixture 1	Mole fraction of Formic acid (2) - Liquid mixture 1
0.0000	0.6401	0.0045	0.0000
0.0720	0.5436	0.0062	0.0339
0.0960	0.5064	0.0077	0.0713
0.1207	0.4756	0.0121	0.1317
0.1410	0.4318	0.0329	0.2140

Sources