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CAS No.: | 35179-98-7 |
---|---|
Name: | Chloromethyl ethyl carbonate |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C4H7ClO3 |
Molecular Weight: | 138.551 |
Synonyms: | Chloromethylethyl carbonate; |
Density: | 1.197 g/cm3 |
Boiling Point: | 135.1 °C at 760 mmHg |
Flash Point: | 47.6 °C |
Appearance: | Colorless and transparent liquid |
PSA: | 35.53000 |
LogP: | 1.35580 |
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The systematic name about this chemical is Chloromethyl ethyl carbonate. The CAS register number of Chloromethyl ethyl carbonate is 35179-98-7. It also can be called as carbonic acid, chloromethyl ethyl ester.
Physical properties about Chloromethyl ethyl carbonate are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.9; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 74.57; (8)ACD/KOC (pH 7.4): 74.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 28.94 cm3; (15)Molar Volume: 115.7 cm3; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 1.196 g/cm3; (18)Flash Point: 47.6 °C; (19)Enthalpy of Vaporization: 37.25 kJ/mol; (20)Boiling Point: 135.1 °C at 760 mmHg; (21)Vapour Pressure: 7.84 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: ClCOC(=O)OCC
2.InChI: InChI=1/C4H7ClO3/c1-2-7-4(6)8-3-5/h2-3H2,1H3
3.InChIKey: RTFGZMKXMSDULM-UHFFFAOYAO
4.Std. InChI: InChI=1S/C4H7ClO3/c1-2-7-4(6)8-3-5/h2-3H2,1H3