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| CAS No.: | 39322-78-6 |
|---|---|
| Name: | Phosphoric acid, dodecyl ester, potassium salt |
| Molecular Structure: | |
 |
|
| Formula: | C12H26KO4P |
| Molecular Weight: | 342.494861 |
| Synonyms: | Emalox LPK;Phosphoric acid,esters,dodecyl ester,potassium salt;IT 1;Potassium lauryl phosphate; |
| EINECS: | 254-414-3 |
| Boiling Point: | 385.5 °C at 760 mmHg |
| Flash Point: | 187 °C |
| Solubility: | 53.3mg/L at 20℃ |
| PSA: | 79.40000 |
| LogP: | 4.45480 |
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Specification
The PK (finishing agent), with CAS registry number 39322-78-6, has the systematic name of potassium dodecyl hydrogen phosphate. Besides this, it is also called Phosphoric acid, dodecyl ester, potassium salt. And the chemical formula of this chemical is C12H26KO4P. What's more, its EINECS is 254-414-3.
Physical properties of PK (finishing agent): (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 65.57 Å2; (13)Flash Point: 187 °C; (14)Enthalpy of Vaporization: 69.64 kJ/mol; (15)Boiling Point: 385.5 °C at 760 mmHg; (16)Vapour Pressure: 5.15E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[O-]P(=O)(OCCCCCCCCCCCC)O
(2)InChI: InChI=1/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1
(3)InChIKey: MJHORFXTDAGQEU-REWHXWOFAA
(4)Std. InChI: InChI=1S/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1
(5)Std. InChIKey: MJHORFXTDAGQEU-UHFFFAOYSA-M