Chemical Properties of 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)- (CAS 39622-57-6)

4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-

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InChI
InChI=1S/C11H12O5/c1-14-10(12)8-4-3-6-16-7-5-9(8)11(13)15-2/h3,5-7H,4H2,1-2H3/b6-3-,7-5+,9-8-
InChI Key
BEXZKZFLMYHWDZ-FKOIWDERSA-N
Formula
C11H12O5
SMILES
COC(=O)C1=C(C(=O)OC)CC=COC=C1
Molecular Weight1
224.21
CAS
39622-57-6
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Physical Properties

Property Value Unit Source
Δf -433.64 kJ/mol Joback Calculated Property
Δfgas -679.23 kJ/mol Joback Calculated Property
Δfus 27.25 kJ/mol Joback Calculated Property
Δvap 66.18 kJ/mol Joback Calculated Property
log10WS -1.69 Crippen Calculated Property
logPoct/wat 1.077 Crippen Calculated Property
McVol 162.840 ml/mol McGowan Calculated Property
Pc 3002.44 kPa Joback Calculated Property
Tboil 670.81 K Joback Calculated Property
Tc 897.56 K Joback Calculated Property
Tfus 416.52 K Joback Calculated Property
Vc 0.597 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [418.97; 485.65] J/mol×K [670.81; 897.56] Show Hide
Cp,gas 418.97 J/mol×K 670.81 Joback Calculated Property
Cp,gas 432.55 J/mol×K 708.60 Joback Calculated Property
Cp,gas 445.17 J/mol×K 746.39 Joback Calculated Property
Cp,gas 456.82 J/mol×K 784.18 Joback Calculated Property
Cp,gas 467.47 J/mol×K 821.97 Joback Calculated Property
Cp,gas 477.08 J/mol×K 859.76 Joback Calculated Property
Cp,gas 485.65 J/mol×K 897.56 Joback Calculated Property
η [0.0000842; 0.0010001] Pa×s [416.52; 670.81] Show Hide
η 0.0010001 Pa×s 416.52 Joback Calculated Property
η 0.0005474 Pa×s 458.90 Joback Calculated Property
η 0.0003317 Pa×s 501.28 Joback Calculated Property
η 0.0002173 Pa×s 543.66 Joback Calculated Property
η 0.0001514 Pa×s 586.05 Joback Calculated Property
η 0.0001107 Pa×s 628.43 Joback Calculated Property
η 0.0000842 Pa×s 670.81 Joback Calculated Property

Similar Compounds

Methyl-12-cytisine acetate. 11-Allylcytisine. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. «delta»1-tetrahydrocannabinolic acid, TMS. Morazone. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Physostigmine. Cytisine, N-formyl-. Caulophylline. Anagyrine. Camoensidine. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-. Cytisine. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. N-acetylcytisine.

Find more compounds similar to 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-.

Sources

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