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
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Physical Properties

Property Value Unit Source
Δf -49.96 kJ/mol Joback Calculated Property
Δfgas -286.84 kJ/mol Joback Calculated Property
Δfus 18.55 kJ/mol Joback Calculated Property
Δvap 65.99 kJ/mol Joback Calculated Property
log10WS -2.98 Crippen Calculated Property
logPoct/wat 2.228 Crippen Calculated Property
McVol 170.870 ml/mol McGowan 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 0.656 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [447.95; 508.71] J/mol×K [703.18; 932.78] Show Hide
Cp,gas 447.95 J/mol×K 703.18 Joback Calculated Property
Cp,gas 460.31 J/mol×K 741.45 Joback Calculated Property
Cp,gas 471.74 J/mol×K 779.71 Joback Calculated Property
Cp,gas 482.27 J/mol×K 817.98 Joback Calculated Property
Cp,gas 491.92 J/mol×K 856.25 Joback Calculated Property
Cp,gas 500.73 J/mol×K 894.51 Joback Calculated Property
Cp,gas 508.71 J/mol×K 932.78 Joback Calculated Property

Similar Compounds

1,11-Oxidocalamenene. 10,11-Epoxy calamenene. Calamenene-1,11-epoxide. 10,11-Epoxycalamenene. Aflatoxin G2. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. Mephedrone M (Ar-carboxy, dihydro), 3Ac. Labetalol, O,O,N-triacetyl deriv.. 1-Methyl-1,2,3,4,-tetrahydronaphthalene-1-hydroperoxide. Aflatoxin G1. 1,6-Dihydrochromolaenin. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2,6-dimethoxy-phenol, TPS. Aflatoxin B2. Cacalohastine. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES.

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

Sources

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