Mixture of Acetonitrile + Water + 2,5-Furandicarboxylic acid

Excel

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

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

2,5-Furandicarboxylic acid

Name
2,5-Furandicarboxylic acid
InChI
InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChI Key
CHTHALBTIRVDBM-UHFFFAOYSA-N
Formula
C6H4O5
SMILES
O=C(O)c1ccc(C(=O)O)o1
Mol. Weight (g/mol)
156.09
CAS
3238-40-2
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

  1. Mole fraction (2)

Mole fraction of 2,5-Furandicarboxylic acid (3) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Water (2) - Liquid Mole fraction of 2,5-Furandicarboxylic acid (3) - Liquid
313.15 0.0770 0.0003
313.15 0.1480 0.0009
313.15 0.2070 0.0014
313.15 0.2670 0.0018
313.15 0.3190 0.0023
313.15 0.3680 0.0026
313.15 0.5890 0.0038
313.15 0.7720 0.0024
313.15 0.9000 0.0009
343.15 0.0780 0.0007
343.15 0.1470 0.0017
343.15 0.2110 0.0029
343.15 0.2660 0.0039
343.15 0.3170 0.0047
343.15 0.3660 0.0053
343.15 0.5870 0.0077
343.15 0.7700 0.0054
343.15 0.8990 0.0023
323.15 0.0780 0.0005
323.15 0.1460 0.0012
323.15 0.2090 0.0021
323.15 0.2660 0.0024
323.15 0.3160 0.0029
323.15 0.3660 0.0032
323.15 0.5940 0.0044
323.15 0.7670 0.0028
323.15 0.9000 0.0011
353.15 0.0770 0.0008
353.15 0.1480 0.0021
353.15 0.2060 0.0031
353.15 0.2660 0.0045
353.15 0.3180 0.0056
353.15 0.3670 0.0061
353.15 0.5940 0.0087
353.15 0.7650 0.0060
353.15 0.8990 0.0023
333.15 0.0780 0.0007
333.15 0.1470 0.0014
333.15 0.2110 0.0023
333.15 0.2660 0.0026
333.15 0.3170 0.0036
333.15 0.3670 0.0041
333.15 0.6100 0.0057
333.15 0.7510 0.0043
333.15 0.9030 0.0015
363.15 0.0780 0.0011
363.15 0.1460 0.0023
363.15 0.2090 0.0036
363.15 0.2660 0.0052
363.15 0.3150 0.0062
363.15 0.3640 0.0073
363.15 0.6070 0.0102
363.15 0.7480 0.0083
363.15 0.9010 0.0035

Mole fraction of 2,5-Furandicarboxylic acid (3) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Water (2) - Liquid Mole fraction of 2,5-Furandicarboxylic acid (3) - Liquid
313.15 0.0770 0.0003
313.15 0.1480 0.0009
313.15 0.2070 0.0014
313.15 0.2670 0.0018
313.15 0.3190 0.0023
313.15 0.3680 0.0026
313.15 0.5890 0.0038
313.15 0.7720 0.0024
313.15 0.9000 0.0009
343.15 0.0780 0.0007
343.15 0.1470 0.0017
343.15 0.2110 0.0029
343.15 0.2660 0.0039
343.15 0.3170 0.0047
343.15 0.3660 0.0053
343.15 0.5870 0.0077
343.15 0.7700 0.0054
343.15 0.8990 0.0023
323.15 0.0780 0.0005
323.15 0.1460 0.0012
323.15 0.2090 0.0021
323.15 0.2660 0.0024
323.15 0.3160 0.0029
323.15 0.3660 0.0032
323.15 0.5940 0.0044
323.15 0.7670 0.0028
323.15 0.9000 0.0011
353.15 0.0770 0.0008
353.15 0.1480 0.0021
353.15 0.2060 0.0031
353.15 0.2660 0.0045
353.15 0.3180 0.0056
353.15 0.3670 0.0061
353.15 0.5940 0.0087
353.15 0.7650 0.0060
353.15 0.8990 0.0023
333.15 0.0780 0.0007
333.15 0.1470 0.0014
333.15 0.2110 0.0023
333.15 0.2660 0.0026
333.15 0.3170 0.0036
333.15 0.3670 0.0041
333.15 0.6100 0.0057
333.15 0.7510 0.0043
333.15 0.9030 0.0015
363.15 0.0780 0.0011
363.15 0.1460 0.0023
363.15 0.2090 0.0036
363.15 0.2660 0.0052
363.15 0.3150 0.0062
363.15 0.3640 0.0073
363.15 0.6070 0.0102
363.15 0.7480 0.0083
363.15 0.9010 0.0035

Sources