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Name |
1,4-Naphthalenedipropanoicacid, sodium salt (1:2) |
EINECS | N/A |
CAS No. | 97860-58-7 | Density | N/A |
PSA | 80.26000 | LogP | 0.20480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H14Na2O4 | Boiling Point | 513.9 °C at 760 mmHg |
Molecular Weight | 316.264 | Flash Point | 278.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4-Naphthalenedipropanoicacid, disodium salt (9CI); |
Article Data | 2 |
The 1,4-Naphthalenedipropanoicacid, sodium salt (1:2) is an organic compound with the formula C16H14Na2O4. The systematic name of this chemical is disodium 3,3'-naphthalene-1,4-diyldipropanoate. With the CAS registry number 97860-58-7, it is also named as Naphthalene-1,4-dipropionic acid disodium salt.
Physical properties about 1,4-Naphthalenedipropanoicacid, sodium salt (1:2) are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 0.78; (3)ACD/LogD (pH 7.4): -1.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.54; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 74.6 Å2; (12)Flash Point: 278.7 °C; (13)Enthalpy of Vaporization: 82.69 kJ/mol; (14)Boiling Point: 513.9 °C at 760 mmHg; (15)Vapour Pressure: 2.2E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CCc2c1ccccc1c(cc2)CCC([O-])=O
(2)InChI: InChI=1/C16H16O4.2Na/c17-15(18)9-7-11-5-6-12(8-10-16(19)20)14-4-2-1-3-13(11)14;;/h1-6H,7-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
(3)InChIKey: GSVBOOMZOVISKO-NUQVWONBAF
(4)Std. InChI: InChI=1S/C16H16O4.2Na/c17-15(18)9-7-11-5-6-12(8-10-16(19)20)14-4-2-1-3-13(11)14;;/h1-6H,7-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
(5)Std. InChIKey: GSVBOOMZOVISKO-UHFFFAOYSA-L