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Cas Database |
| Name |
3-Chloro-1,1-dimethoxypropane |
EINECS | N/A |
| CAS No. | 35502-06-8 | Density | 1.022g/cm3 |
| PSA | 18.46000 | LogP | 1.23420 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H11 Cl O2 | Boiling Point | 134.9 °C at 760 mmHg |
| Molecular Weight | 138.594 | Flash Point | 28.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-chloro-1,1-dimethoxy-propane;1-Chloro-3,3-dimethoxypropane;Propane, 3-chloro-1,1-dimethoxy-; |
Article Data | 8 |
3-Chloro-1,1-dimethoxypropane Specification
The 3-Chloro-1,1-dimethoxypropane with cas registry number of 35502-06-8, is also named 3-chloro-1,1-dimethoxy-propane ; 1-Chloro-3,3-dimethoxypropane ; Propane, 3-chloro-1,1-dimethoxy- .
Physical properties of 3-Chloro-1,1-dimethoxypropane : (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.31; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 63.28; (8)ACD/KOC (pH 7.4): 63.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 33.51 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 13.28×10-24cm3; (17)Surface Tension: 26 dyne/cm; (18)Enthalpy of Vaporization: 35.7 kJ/mol; (19)Vapour Pressure: 9.78 mmHg at 25°C .
You can still convert the following datas into molecular structure: (1)SMILES:ClCCC(OC)OC; (2)InChI:InChI=1/C5H11ClO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3; (3)InChIKey:DXWRNRRBDAQWDB-UHFFFAOYAB; (4)Std. InChI:InChI=1S/C5H11ClO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3; (5)Std. InChIKey:DXWRNRRBDAQWDB-UHFFFAOYSA-N.
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