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Name |
Acetic acid, 2-iodo-,ethenyl ester |
EINECS | N/A |
CAS No. | 52590-49-5 | Density | 1.893 g/cm3 |
PSA | 26.30000 | LogP | 1.10810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H5IO2 | Boiling Point | 171.8 °C at 760 mmHg |
Molecular Weight | 211.987 | Flash Point | 57.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, iodo-, ethenyl ester (9CI);Acetic acid, iodo-, vinyl ester (7CI);Ethenyl iodoacetate; |
Article Data | 2 |
The Acetic acid, 2-iodo-,ethenyl ester with CAS registry number of 52590-49-5 is also known as Acetic acid, iodo-, vinyl ester (7CI). The systematic name is Ethenyl iodoacetate. In addition, the formula is C4H5IO2 and the molecular weight is 211.99.
Physical properties about Acetic acid, 2-iodo-,ethenyl ester are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.18; (6)ACD/BCF (pH 7.4): 13.18; (7)ACD/KOC (pH 5.5): 220.37; (8)ACD/KOC (pH 7.4): 220.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 35.04 cm3; (15)Molar Volume: 111.9 cm3; (16)Polarizability: 13.89×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.893 g/cm3; (19)Flash Point: 57.7 °C; (20)Enthalpy of Vaporization: 40.82 kJ/mol; (21)Boiling Point: 171.8 °C at 760 mmHg; (22)Vapour Pressure: 1.37 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: ICC(=O)OC=C
2. InChI: InChI=1/C4H5IO2/c1-2-7-4(6)3-5/h2H,1,3H2
3. InChIKey: RZBCQRXLQOFZBP-UHFFFAOYAH
4. Std. InChI: InChI=1S/C4H5IO2/c1-2-7-4(6)3-5/h2H,1,3H2
5. Std. InChIKey: RZBCQRXLQOFZBP-UHFFFAOYSA-N