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| CAS No.: | 25323-89-1 |
|---|---|
| Name: | Trichloroethane |
| Molecular Structure: | |
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| Formula: | C2H3Cl3 |
| Molecular Weight: | 133.4042 |
| Synonyms: | Trichloroethane; |
| Density: | 1.393 g/cm3 |
| Melting Point: | -37oC |
| Boiling Point: | 74.1 °C at 760 mmHg |
| Flash Point: | 11oC |
| Appearance: | colourless liquid with a mild chloroform odour |
| PSA: | 0.00000 |
| LogP: | 2.02890 |
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Specification
The Trichloroethane, with the CAS registry number 25323-89-1, is also known as Trichloroethane. This chemical's molecular formula is C2H3Cl3 and molecular weight is 133.4042. What's more, its systematic name is 1,1,1-Trichloroethane.
Physical properties about Trichloroethane are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.41; (6)ACD/BCF (pH 7.4): 23.41; (7)ACD/KOC (pH 5.5): 332.57; (8)ACD/KOC (pH 7.4): 332.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 25.82 cm3; (15)Molar Volume: 95.7 cm3; (16)Polarizability: 10.23×10-24 cm3; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 1.393 g/cm3; (19)Enthalpy of Vaporization: 29.86 kJ/mol; (20)Boiling Point: 74.1 °C at 760 mmHg; (21)Vapour Pressure: 122 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)C
(2) InChI: InChI=1/C2H3Cl3/c1-2(3,4)5/h1H3
(3) InChIKey: UOCLXMDMGBRAIB-UHFFFAOYAP