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Name |
1,2-Cyclohexanedicarboxylic acid, 1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester |
EINECS | N/A |
CAS No. | 57043-35-3 | Density | 1.223 g/cm3 |
PSA | 89.90000 | LogP | 1.53990 |
Solubility | 9.67g/L at 20℃ | Melting Point |
N/A |
Formula | C13H18O6 | Boiling Point | 430.6 °C at 760 mmHg |
Molecular Weight | 270.28 | Flash Point | 160.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Cyclohexanedicarboxylic acid,mono[2-[(1-oxo-2-propenyl)oxy]ethyl] ester;2-{[2-(Acryloyloxy)ethoxy]carbonyl}cyclohexanecarboxylic acid;1,2-Cyclohexanedicarboxylic acid, mono[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester; |
The 1,2-Cyclohexanedicarboxylic acid, 1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester, with the CAS registry number 57043-35-3, is also known as 1,2-Cyclohexanedicarboxylic acid,mono[2-[(1-oxo-2-propenyl)oxy]ethyl] ester. This chemical's molecular formula is C13H18O6 and molecular weight is 270.28. What's more, its systematic name is 2-{[2-(acryloyloxy)ethoxy]carbonyl}cyclohexanecarboxylic acid.
Physical properties of 1,2-Cyclohexanedicarboxylic acid, 1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/BCF (pH 5.5): 1.25; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.86; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 89.9 Å2; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 64.75 cm3; (14)Molar Volume: 220.9 cm3; (15)Polarizability: 25.67×10-24cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Density: 1.223 g/cm3; (18)Flash Point: 160.2 °C; (19)Enthalpy of Vaporization: 75.24 kJ/mol; (20)Boiling Point: 430.6 °C at 760 mmHg; (21)Vapour Pressure: 1.27E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CCCCC1C(=O)OCCOC(=O)C=C
(2)InChI: InChI=1/C13H18O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2,9-10H,1,3-8H2,(H,15,16)
(3)InChIKey: UECGJSXCVLTIMQ-UHFFFAOYAE