77310-78-2

Basic information

• Product Name: C₃H₃⁽²⁾H₂O₂
• Synonyms: C₃H₃⁽²⁾H₂O₂
• CAS NO: 77310-78-2
• Molecular Weight: 75.0556
• Mol File: 77310-78-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₃H₃⁽²⁾H₂O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₃H₃⁽²⁾H₂O₂(77310-78-2)
• EPA Substance Registry System: C₃H₃⁽²⁾H₂O₂(77310-78-2)

Safety Data

• Hazardous Substances Data: 77310-78-2(Hazardous Substances Data)

Upstream product

• 2264-21-3 trifluoromethyl radical 
• 24704-57-2 methyl acetate-d₃ 
• 2229-07-4 methyl radical 

Relevant articles and documents

Hydrogen Abstraction from (2H3)methyl Acetate by Methyl and Trifluoromethyl Radicals

A study of hydrogen abstraction from CH3COOCD3 by CH3 radicals in the temperature range 113-232 deg C, and by CF3 radicals in the range 83-212 deg C, has yielded data on the reactions: CH3 + CH3COOCD3 CH4 + CH2COOCD3 (1), CH3 + CH3COOCD3 CH3D + CH3COOCD2 (2), CF3 + CH3COOCD3 CF3H + CH2COOCD3 (3), CF3 + CH3COOCD3 CF3D + CH3COOCD2 (4). The corresponding rate constants, based on the values 1013.34and 1013.36 cm3 mol-1 s-1 for the recombination of CH3 and CF3 radicals, respectively, are given by (k in cm3 mol-1 s-1 and E in J mol-1): log k1 = (11.31 +/- 0.12) - (43500 +/- 1030)/19.145 T (1), log k2 = (11.33 +/- 0.08) - (53460 +/- 640)/19.145 T (2), log k3 = (11.12 +/- 0.06) - (34260 +/- 450)/19.145 T (3), log k4 = (10.93 +/- 0.12) - (38650 +/- 900)/19.145 T (4).These results lead to kinetic isotope effects at 400 K for attack on the acetyl group of 11, for the CH3 reaction, and 24, for the CF3 reaction, thus confirming the values we obtained previously.For attack on the methoxy group, the kinetic isotope effects are 8 and 4, for the CH3 and CF3 reactions, respectively.