Name: Trichloroethane
SKU: 25323-89-1

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Basic Information

Molecular Structure:
CAS No.:	25323-89-1
Name:	Trichloroethane

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