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19199-91-8

Basic Information
CAS No.: 19199-91-8
Name: CHLOROETHANE-D5
Article Data: 4
Molecular Structure:
Molecular Structure of 19199-91-8 (CHLOROETHANE-D5)
Formula: C2ClD5
Molecular Weight: 69.475
Synonyms: Ethane-d5, chloro-;Pentadeuterioethyl chloride;
Density: 0.953 g/cm3
Boiling Point: 12.733 °C at 760 mmHg
Hazard Symbols: F+,Xn
Risk Codes: 12-40-52/53
Safety: 9-16-33-36/37-61
PSA: 0.00000
LogP: 1.24510
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Specification

The Chloroethane-d5, with the CAS registry number 19199-91-8, is also known as Ethane-d5, chloro-. This chemical's molecular formula is C2ClD5 and molecular weight is 69.54. What's more, its systematic name is Chloro(2H5)ethane.

Physical properties about Chloroethane-d5 are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.623; (4)ACD/LogD (pH 7.4): 1.623; (5)ACD/BCF (pH 5.5): 10.072; (6)ACD/BCF (pH 7.4): 10.072; (7)ACD/KOC (pH 5.5): 181.821; (8)ACD/KOC (pH 7.4): 181.821; (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: 1.362; (14)Molar Refractivity: 16.164 cm3; (15)Molar Volume: 72.934 cm3; (16)Polarizability: 6.408×10-24 cm3; (17)Surface Tension: 17.971 dyne/cm; (18)Density: 0.953 g/cm3; (19)Enthalpy of Vaporization: 24.966 kJ/mol; (20)Boiling Point: 12.733 °C at 760 mmHg; (21)Vapour Pressure: 1169.93 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C([2H])([2H])Cl
(2) InChI: InChI=1/C2H5Cl/c1-2-3/h2H2,1H3/i1D3,2D2
(3) InChIKey: HRYZWHHZPQKTII-ZBJDZAJPEK