Mixture of 1,3-Isobenzofurandione, 5-nitro- + 1,3-Isobenzofurandione, 4-nitro- + 1,4-Dioxane

Excel

1,3-Isobenzofurandione, 5-nitro-

Name
1,3-Isobenzofurandione, 5-nitro-
InChI
InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H
InChI Key
MMVIDXVHQANYAE-UHFFFAOYSA-N
Formula
C8H3NO5
SMILES
O=C1OC(=O)c2cc([N+](=O)[O-])ccc21
Mol. Weight (g/mol)
193.11
CAS
5466-84-2

1,3-Isobenzofurandione, 4-nitro-

Name
1,3-Isobenzofurandione, 4-nitro-
InChI
InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H
InChI Key
ROFZMKDROVBLNY-UHFFFAOYSA-N
Formula
C8H3NO5
SMILES
O=C1OC(=O)c2c1cccc2[N+](=O)[O-]
Mol. Weight (g/mol)
193.11
CAS
641-70-3

1,4-Dioxane

Name
1,4-Dioxane
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChI Key
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
C1COCCO1
Mol. Weight (g/mol)
88.11
CAS
123-91-1
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. Mass fraction (8)
  2. ρl - Mass density, kg/m3 (2)

Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid
283.15 0.3304 0.0000
283.15 0.3118 0.0282
283.15 0.2933 0.0643
283.15 0.2731 0.0903
283.15 0.2626 0.1191
303.15 0.4106 0.0000
303.15 0.4053 0.0250
303.15 0.3864 0.0475
303.15 0.3663 0.0863
303.15 0.3535 0.1175
323.15 0.5360 0.0000
323.15 0.5260 0.0197
323.15 0.5045 0.0496
323.15 0.4876 0.0813
323.15 0.4791 0.1106

Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid
283.15 0.2263 0.1603
283.15 0.1829 0.1783
283.15 0.1480 0.1913
283.15 0.1108 0.2082
283.15 0.0764 0.2313
283.15 0.0496 0.2545
283.15 0.0251 0.2759
283.15 0.0000 0.2951
303.15 0.3070 0.1549
303.15 0.2681 0.1699
303.15 0.2229 0.1821
303.15 0.1704 0.2105
303.15 0.1182 0.2342
303.15 0.0733 0.2636
303.15 0.0389 0.2901
303.15 0.0000 0.3200
323.15 0.4221 0.1467
323.15 0.3674 0.1597
323.15 0.3182 0.1737
323.15 0.2697 0.1913
323.15 0.2213 0.2105
323.15 0.1659 0.2375
323.15 0.1258 0.2629
323.15 0.0813 0.2991
323.15 0.0350 0.3245
323.15 0.0000 0.3459

Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid
283.15 0.1489
303.15 0.1456
323.15 0.1360

Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid
283.15 0.2566
303.15 0.3439
323.15 0.4751

Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid
283.15 0.3304 0.0000
283.15 0.3118 0.0282
283.15 0.2933 0.0643
283.15 0.2731 0.0903
283.15 0.2626 0.1191
303.15 0.4106 0.0000
303.15 0.4053 0.0250
303.15 0.3864 0.0475
303.15 0.3663 0.0863
303.15 0.3535 0.1175
323.15 0.5360 0.0000
323.15 0.5260 0.0197
323.15 0.5045 0.0496
323.15 0.4876 0.0813
323.15 0.4791 0.1106

Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid
283.15 0.2263 0.1603
283.15 0.1829 0.1783
283.15 0.1480 0.1913
283.15 0.1108 0.2082
283.15 0.0764 0.2313
283.15 0.0496 0.2545
283.15 0.0251 0.2759
283.15 0.0000 0.2951
303.15 0.3070 0.1549
303.15 0.2681 0.1699
303.15 0.2229 0.1821
303.15 0.1704 0.2105
303.15 0.1182 0.2342
303.15 0.0733 0.2636
303.15 0.0389 0.2901
303.15 0.0000 0.3200
323.15 0.4221 0.1467
323.15 0.3674 0.1597
323.15 0.3182 0.1737
323.15 0.2697 0.1913
323.15 0.2213 0.2105
323.15 0.1659 0.2375
323.15 0.1258 0.2629
323.15 0.0813 0.2991
323.15 0.0350 0.3245
323.15 0.0000 0.3459

Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid
283.15 0.1489
303.15 0.1456
323.15 0.1360

Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid
283.15 0.2566
303.15 0.3439
323.15 0.4751

Mass density, kg/m3 [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid Mass density, kg/m3 - Liquid
283.15 0.0000 0.3304 1030.1
283.15 0.0282 0.3118 1032.6
283.15 0.0643 0.2933 1041.3
283.15 0.0903 0.2731 1046.7
283.15 0.1191 0.2626 1056.4
283.15 0.1489 0.2566 1070.4
283.15 0.1603 0.2263 1061.2
283.15 0.1783 0.1829 1047.0
283.15 0.1913 0.1480 1041.5
283.15 0.2082 0.1108 1034.1
283.15 0.2313 0.0764 1029.6
283.15 0.2545 0.0496 1026.0
283.15 0.2759 0.0251 1022.9
283.15 0.2951 0.0000 1022.1
303.15 0.0000 0.4106 1053.1
303.15 0.0250 0.4053 1060.7
303.15 0.0475 0.3864 1075.2
303.15 0.0863 0.3663 1084.1
303.15 0.1175 0.3535 1097.5
303.15 0.1456 0.3439 1114.4
303.15 0.1549 0.3070 1089.3
303.15 0.1699 0.2681 1071.5
303.15 0.1821 0.2229 1062.4
303.15 0.2105 0.1704 1053.5
303.15 0.2342 0.1182 1044.7
303.15 0.2636 0.0733 1039.0
303.15 0.2901 0.0389 1032.2
303.15 0.3200 0.0000 1030.1
323.15 0.0000 0.5360 1132.5
323.15 0.0197 0.5260 1135.7
323.15 0.0496 0.5045 1140.7
323.15 0.0813 0.4876 1149.4
323.15 0.1106 0.4791 1170.7
323.15 0.1360 0.4751 1210.4
323.15 0.1467 0.4221 1169.9
323.15 0.1597 0.3674 1152.4
323.15 0.1737 0.3182 1134.6
323.15 0.1913 0.2697 1119.5
323.15 0.2105 0.2213 1099.3
323.15 0.2375 0.1659 1077.6
323.15 0.2629 0.1258 1064.3
323.15 0.2991 0.0813 1049.1
323.15 0.3245 0.0350 1043.5
323.15 0.3459 0.0000 1036.5

Mass density, kg/m3 [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mass fraction of 1,3-Isobenzofurandione, 5-nitro- (1) - Liquid Mass fraction of 1,3-Isobenzofurandione, 4-nitro- (2) - Liquid Mass density, kg/m3 - Liquid
283.15 0.0000 0.3304 1030.1
283.15 0.0282 0.3118 1032.6
283.15 0.0643 0.2933 1041.3
283.15 0.0903 0.2731 1046.7
283.15 0.1191 0.2626 1056.4
283.15 0.1489 0.2566 1070.4
283.15 0.1603 0.2263 1061.2
283.15 0.1783 0.1829 1047.0
283.15 0.1913 0.1480 1041.5
283.15 0.2082 0.1108 1034.1
283.15 0.2313 0.0764 1029.6
283.15 0.2545 0.0496 1026.0
283.15 0.2759 0.0251 1022.9
283.15 0.2951 0.0000 1022.1
303.15 0.0000 0.4106 1053.1
303.15 0.0250 0.4053 1060.7
303.15 0.0475 0.3864 1075.2
303.15 0.0863 0.3663 1084.1
303.15 0.1175 0.3535 1097.5
303.15 0.1456 0.3439 1114.4
303.15 0.1549 0.3070 1089.3
303.15 0.1699 0.2681 1071.5
303.15 0.1821 0.2229 1062.4
303.15 0.2105 0.1704 1053.5
303.15 0.2342 0.1182 1044.7
303.15 0.2636 0.0733 1039.0
303.15 0.2901 0.0389 1032.2
303.15 0.3200 0.0000 1030.1
323.15 0.0000 0.5360 1132.5
323.15 0.0197 0.5260 1135.7
323.15 0.0496 0.5045 1140.7
323.15 0.0813 0.4876 1149.4
323.15 0.1106 0.4791 1170.7
323.15 0.1360 0.4751 1210.4
323.15 0.1467 0.4221 1169.9
323.15 0.1597 0.3674 1152.4
323.15 0.1737 0.3182 1134.6
323.15 0.1913 0.2697 1119.5
323.15 0.2105 0.2213 1099.3
323.15 0.2375 0.1659 1077.6
323.15 0.2629 0.1258 1064.3
323.15 0.2991 0.0813 1049.1
323.15 0.3245 0.0350 1043.5
323.15 0.3459 0.0000 1036.5

Sources