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CAS No.: | 20779-13-9 |
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Name: | 1,5-NAPHTHALENEDISULFONIC ACID DIMETHYL ESTER |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H12O6S2 |
Molecular Weight: | 316.35 |
Synonyms: | 1,5-Naphthalenedisulfonicacid, dimethyl ester (8CI,9CI);Dimethyl 1,5-naphthalenedisulfonate;1,5-Naphthalenedisulfonic acid dimethyl ester;Naphthalenedisulfonicaciddimethylester; |
Density: | 1.439 g/cm3 |
Melting Point: | 203 °C |
Boiling Point: | 510.5 °C at 760 mmHg |
Flash Point: | 262.5 °C |
PSA: | 103.50000 |
LogP: | 3.67160 |
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The CAS register number of 1,5-Naphthalenedisulfonicacid, 1,5-dimethyl ester is 20779-13-9. It also can be called as Naphthalenedisulfonicaciddimethylester and the systematic name about this chemical is dimethyl naphthalene-1,5-disulfonate. The molecular formula about this chemical is C12H12O6S2 and the molecular weight is 316.35.
Physical properties about 1,5-Naphthalenedisulfonicacid, 1,5-dimethyl ester are: (1)ACD/LogP: 0.69; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 103.5 Å2; (5)Index of Refraction: 1.594; (6)Molar Refractivity: 74.68 cm3; (7)Molar Volume: 219.8 cm3; (8)Polarizability: 29.6x10-24cm3; (9)Surface Tension: 50.7 dyne/cm; (10)Density: 1.439 g/cm3; (11)Flash Point: 262.5 °C; (12)Enthalpy of Vaporization: 75.17 kJ/mol; (13)Boiling Point: 510.5 °C at 760 mmHg; (14)Vapour Pressure: 4.95E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC)c1cccc2c1cccc2S(=O)(=O)OC
(2)InChI: InChI=1/C12H12O6S2/c1-17-19(13,14)11-7-3-6-10-9(11)5-4-8-12(10)20(15,16)18-2/h3-8H,1-2H3
(3)InChIKey: HCXPJMZQMWIBMO-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H12O6S2/c1-17-19(13,14)11-7-3-6-10-9(11)5-4-8-12(10)20(15,16)18-2/h3-8H,1-2H3
(5)Std. InChIKey: HCXPJMZQMWIBMO-UHFFFAOYSA-N