Chemical Properties of Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester (CAS 58422-67-6)

Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester

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InChI
InChI=1S/C12H13NO3/c1-9-6-4-5-7-11(9)12(3,8-13)16-15-10(2)14/h4-7H,1-3H3
InChI Key
FFROOMNADSGFIK-UHFFFAOYSA-N
Formula
C12H13NO3
SMILES
CC(=O)OOC(C)(C#N)c1ccccc1C
Molecular Weight1
219.24
CAS
58422-67-6
Sources

Physical Properties

Property Value Unit Source
Δf -49.96 kJ/mol Joback Calculated Property
Δfgas -286.84 kJ/mol Joback Calculated Property
Δfus 18.56 kJ/mol Joback Calculated Property
Δvap 65.99 kJ/mol Joback Calculated Property
logPoct/wat 2.23 Crippen Calculated Property
Pc 2424.27 kPa Joback Calculated Property
Tboil 703.18 K Joback Calculated Property
Tc 932.78 K Joback Calculated Property
Tfus 425.74 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 447.95 J/mol×K 703.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CN 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
>C< 1
-CH3 3

Similar Compounds

1-Methyl-1,2,3,4,-tetrahydronaphthalene-1-hydroperoxide. Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl. Dicumyl peroxide. 1,1-Dimethyl-1-methyl-1-[(4-methylethyl)phenyl]ethyl peroxide. 1,2,3,4-Tetrahydro-1-hydroperoxynaphthalene. 1-Methyl-1,2,3,4,-tetrahydro-1-naphthol. 10.beta.-Hydroxycalamenene. trans-Calamenen-10-ol. (1S,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol. cis-Calamenen-10-ol. (1R,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol. trans-Calamenen-10-ol. Calamenen-10-ol. 10«alpha»-Hydroxycalamenene. «alpha»-Corocalene epoxide.

Find more compounds similar to Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester.

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