-
Name
Didodecyl hydrogen phosphate
- EINECS 230-341-2
- CAS No. 7057-92-3
- Article Data14
- CAS DataBase
- Density 0.946 g/cm3
- Solubility
- Melting Point 59oC
- Formula C24H51O4P
- Boiling Point 507.9 °C at 760 mmHg
- Molecular Weight 434.64
- Flash Point 261 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Didodecoxyphosphinic acid;Dilauryl acid phosphate;Dodecyl phosphate ((C12H25O)2(HO)PO);Didodecylphosphoric acid;Dilauryl phosphate;Phosphoric acid, didodecyl ester;Didodecyl phosphate;Di-n-dodecyl phosphate;Phosphoric acid,esters,didodecyl ester;ELA;Phosphonic acid, didodecyl ester;Ortholeum 162;
- PSA 65.57000
- LogP 8.96180
Didodecyl hydrogen phosphate Specification
The Didodecyl hydrogen phosphate, with the CAS registry number 7057-92-3, is also known as Phosphonic acid, didodecyl ester. Its EINECS number is 230-341-2. This chemical's molecular formula is C24H51O4P and molecular weight is 434.63. What's more, its systematic name is Phosphoric acid, didodecyl ester.
Physical properties of Didodecyl hydrogen phosphate are: (1)ACD/LogP: 10.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.32; (4)ACD/LogD (pH 7.4): 7.21; (5)ACD/BCF (pH 5.5): 33323.96; (6)ACD/BCF (pH 7.4): 25485.6; (7)ACD/KOC (pH 5.5): 6573.87; (8)ACD/KOC (pH 7.4): 5027.58; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 125.13 cm3; (15)Molar Volume: 459 cm3; (16)Polarizability: 49.6×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 0.946 g/cm3; (19)Flash Point: 261 °C; (20)Enthalpy of Vaporization: 85.17 kJ/mol; (21)Boiling Point: 507.9 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC
(2)InChI: InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)
(3)InChIKey: JTXUVYOABGUBMX-UHFFFAOYSA-N
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