Chemical Properties of Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester (CAS 39998-21-5)

Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester

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InChI
InChI=1S/C9H11NO2/c1-10-6-4-3-5-8(10)7-9(11)12-2/h3-7H,1-2H3/b8-7+
InChI Key
BRIRBMVQJSWOKR-BQYQJAHWSA-N
Formula
C9H11NO2
SMILES
COC(=O)C=C1C=CC=CN1C
Molecular Weight1
165.19
CAS
39998-21-5
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Physical Properties

Property Value Unit Source
ω 0.4266 Relay (... Calculated Property
ΔfG° -5.63 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -175.07 kJ/mol Relay (... Calculated Property
ΔvapH° 69.73 kJ/mol Relay (... Calculated Property
IE 7.02 ± 0.02 eV NIST
log10WS -2.02 Relay (... Calculated Property
logPoct/wat 1.059 Crippen Calculated Property
McVol 131.330 ml/mol McGowan Calculated Property
Pc 3626.57 kPa Relay (... Calculated Property ⚠️
Tboil 501.40 K Relay (... Calculated Property
Tc 703.62 K Relay (... Calculated Property
Tfus 338.58 K Relay (... Calculated Property
Vc 0.449 m3/kmol Relay (... Calculated Property

Similar Compounds

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Find more compounds similar to Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester.

Sources

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